N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide

C15H20N4O — CID 105069192

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C15H20N4O/c1-2-8-18-14-11-17-9-6-13(14)15(20)19(10-3-7-16)12-4-5-12/h6,9,11-12,18H,2-5,8,10H2,1H3
InChIKeyAOOOSOSYGDGCDZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.42
Rot. Bonds7

About N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105069192) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide
PubChem CID105069192
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C15H20N4O/c1-2-8-18-14-11-17-9-6-13(14)15(20)19(10-3-7-16)12-4-5-12/h6,9,11-12,18H,2-5,8,10H2,1H3
InChIKeyAOOOSOSYGDGCDZ-UHFFFAOYSA-N
XLogP2.42
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056
N-cyclopropyl-3-(methylamino)-N-propylpyridine-4-carboxamide
CID 105068558
N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385444
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105063440
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071339
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
5-bromo-N-(2-cyanoethyl)-N-cyclopropyl-2-(propylamino)pyridine-3-carboxamide
CID 62175268
N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
N-butyl-N-cyclopropyl-3-hydrazinylpyridine-4-carboxamide
CID 105071708
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167
N-(3-hydroxybutyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105071302
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide (CID 105069192) is N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is AOOOSOSYGDGCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-8-18-14-11-17-9-6-13(14)15(20)19(10-3-7-16)12-4-5-12/h6,9,11-12,18H,2-5,8,10H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105069192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).