N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide

Update Time: 2025-04-25 17:03:18

	Common Name	N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide	English Name	N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
	CAS NO.	N/A	Molecular Weight	386.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₄H₂₂N₂O₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide

Molecular Formula	C24H22N2O3
Molecular Weight	386.4
Exact Mass	386.16304257
LogP	3.90
Standard SMILES	O=C(c1ccncc1)N(Cc1ccc2c(c1)OCO2)C1CCCc2ccccc21
Canonical SMILES	C1CC(C2=CC=CC=C2C1)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=NC=C5
Isomeric SMILES	C1C[C@@H](C2=CC=CC=C2C1)N(CC3=CC4=C(C=C3)OCO4)C(=O)C5=CC=NC=C5
Standard InChI Identifier	InChI=1S/C24H22N2O3/c27-24(19-10-12-25-13-11-19)26(15-17-8-9-22-23(14-17)29-16-28-22)21-7-3-5-18-4-1-2-6-20(18)21/h1-2,4,6,8-14,21H,3,5,7,15-16H2/t21-/m0/s1
Standard InChI Key	NNCWZENUCAGXFA-NRFANRHFSA-N
Compound Complexity	564.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：0 Rotatable Bond Count：4 Heavy Atom Count：29 Total Chiral Atom Count：1 Defined Chiral Atom Count：1 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：386.16304257