N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide

C17H19N3O2 — CID 109201249

IUPACN-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C17H19N3O2/c1-3-9-18-15-8-10-19-16(11-15)17(22)20-14-6-4-13(5-7-14)12(2)21/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyIWHWJBFMEJKCKO-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.36
Rot. Bonds6

About N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide

N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 109201249) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID109201249
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C17H19N3O2/c1-3-9-18-15-8-10-19-16(11-15)17(22)20-14-6-4-13(5-7-14)12(2)21/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyIWHWJBFMEJKCKO-UHFFFAOYSA-N
XLogP3.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
CID 109202795
N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107578587
N-(4-acetylphenyl)-4-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109209563
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 63499869
N-(4-acetamidophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205974
N-(3-chloro-5-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107370428
N-(4-acetylphenyl)-4-aminopyridine-2-carboxamide
CID 82299178
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
4-(propylamino)-N-pyridin-2-ylpyridine-2-carboxamide
CID 55042694

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide (CID 109201249) is N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is IWHWJBFMEJKCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-9-18-15-8-10-19-16(11-15)17(22)20-14-6-4-13(5-7-14)12(2)21/h4-8,10-11H,3,9H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide?
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).