5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

C21H19N3O3 — CID 109245209

IUPAC5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(Nc3cccc(C(C)=O)c3)c2)c1
InChIInChI=1S/C21H19N3O3/c1-14(25)15-5-3-6-17(9-15)23-19-10-16(12-22-13-19)21(26)24-18-7-4-8-20(11-18)27-2/h3-13,23H,1-2H3,(H,24,26)
InChIKeyLAUNJPVZGISMEV-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.29
Rot. Bonds6

About 5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109245209) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109245209
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cncc(Nc3cccc(C(C)=O)c3)c2)c1
InChIInChI=1S/C21H19N3O3/c1-14(25)15-5-3-6-17(9-15)23-19-10-16(12-22-13-19)21(26)24-18-7-4-8-20(11-18)27-2/h3-13,23H,1-2H3,(H,24,26)
InChIKeyLAUNJPVZGISMEV-UHFFFAOYSA-N
XLogP4.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
5-(4-chloroanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109244617
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082
5-N-(3-acetylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108917
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245269
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
N-(3-acetylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236828
5-(2,4-dimethylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109242737
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245786
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 109245209) is 5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2cncc(Nc3cccc(C(C)=O)c3)c2)c1.
What is the InChIKey of 5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is LAUNJPVZGISMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-14(25)15-5-3-6-17(9-15)23-19-10-16(12-22-13-19)21(26)24-18-7-4-8-20(11-18)27-2/h3-13,23H,1-2H3,(H,24,26).
What are the key properties of 5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109245209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).