N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide

C21H19N3O2 — CID 109197257

IUPACN-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Nc3ccccc3C)cn2)c1
InChIInChI=1S/C21H19N3O2/c1-14-6-3-4-9-19(14)23-18-10-11-20(22-13-18)21(26)24-17-8-5-7-16(12-17)15(2)25/h3-13,23H,1-2H3,(H,24,26)
InChIKeyNDHQZCSPLDRCBN-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.59
Rot. Bonds5

About N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide

N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide (PubChem CID 109197257) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide
PubChem CID109197257
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Nc3ccccc3C)cn2)c1
InChIInChI=1S/C21H19N3O2/c1-14-6-3-4-9-19(14)23-18-10-11-20(22-13-18)21(26)24-17-8-5-7-16(12-17)15(2)25/h3-13,23H,1-2H3,(H,24,26)
InChIKeyNDHQZCSPLDRCBN-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-acetylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109199996
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
N-(3-acetylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109200351
5-(3-acetylanilino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109198731
methyl 3-[[5-(2-chloroanilino)pyridine-2-carbonyl]amino]benzoate
CID 109199140
N-(3-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200228
N-(3-acetylphenyl)-5-(5-chloro-2-methoxyanilino)pyridine-2-carboxamide
CID 109199643
N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109200420
5-(2,5-dimethylanilino)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109197157
N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219035
methyl 3-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200498
N-(4-acetylphenyl)-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109198907

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide (CID 109197257) is N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(Nc3ccccc3C)cn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide?
The InChIKey is NDHQZCSPLDRCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-6-3-4-9-19(14)23-18-10-11-20(22-13-18)21(26)24-17-8-5-7-16(12-17)15(2)25/h3-13,23H,1-2H3,(H,24,26).
What are the key properties of N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide?
N-(3-acetylphenyl)-5-(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-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109197257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).