N-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

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

	Common Name	N-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide	English Name	N-(1,3-benzodioxol-5-ylmethyl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
	CAS NO.	N/A	Molecular Weight	353.4
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₀H₂₃N₃O₃	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-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

Molecular Formula	C20H23N3O3
Molecular Weight	353.4
Exact Mass	353.17394160
LogP	2.10
Standard SMILES	O=C(c1cccnc1)N(CCN1CCCC1)Cc1ccc2c(c1)OCO2
Canonical SMILES	C1CCN(C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4
Isomeric SMILES	C1CCN(C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=CC=C4
Standard InChI Identifier	InChI=1S/C20H23N3O3/c24-20(17-4-3-7-21-13-17)23(11-10-22-8-1-2-9-22)14-16-5-6-18-19(12-16)26-15-25-18/h3-7,12-13H,1-2,8-11,14-15H2
Standard InChI Key	OMLPJECBCKGWIN-UHFFFAOYSA-N
Compound Complexity	469.00
computational chemistry	Hydrogen Bond Acceptor Count：5 Hydrogen Bond Donor Count：0 Rotatable Bond Count：6 Heavy Atom Count：26 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 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：353.17394160