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

C21H19N3O2 — CID 109219035

IUPACN-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Nc3ccccc3C)ccn2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-4-6-19(14)23-18-11-12-22-20(13-18)21(26)24-17-9-7-16(8-10-17)15(2)25/h3-13H,1-2H3,(H,22,23)(H,24,26)
InChIKeyXTJVUJIHJOALGW-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.59
Rot. Bonds5

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

N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide (PubChem CID 109219035) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
PubChem CID109219035
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Nc3ccccc3C)ccn2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-5-3-4-6-19(14)23-18-11-12-22-20(13-18)21(26)24-17-9-7-16(8-10-17)15(2)25/h3-13H,1-2H3,(H,22,23)(H,24,26)
InChIKeyXTJVUJIHJOALGW-UHFFFAOYSA-N
XLogP4.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
4-(2-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109219027
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
4-(2-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109219031
4-(4-chloro-2-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218765
N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide
CID 109197257
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220437
2-N-(4-acetylphenyl)-6-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100082
N-(4-acetylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210842
4-N-(4-acetylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092659
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide (CID 109219035) is N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(Nc3ccccc3C)ccn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide?
The InChIKey is XTJVUJIHJOALGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-5-3-4-6-19(14)23-18-11-12-22-20(13-18)21(26)24-17-9-7-16(8-10-17)15(2)25/h3-13H,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide?
N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109219035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).