5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide

C21H19N3O2 — CID 109241874

IUPAC5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-4-3-5-19(10-14)24-21(26)17-11-20(13-22-12-17)23-18-8-6-16(7-9-18)15(2)25/h3-13,23H,1-2H3,(H,24,26)
InChIKeyJHAXEMDQJLNXNK-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.59
Rot. Bonds5

About 5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide

5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 109241874) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID109241874
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3)c2)cc1
InChIInChI=1S/C21H19N3O2/c1-14-4-3-5-19(10-14)24-21(26)17-11-20(13-22-12-17)23-18-8-6-16(7-9-18)15(2)25/h3-13,23H,1-2H3,(H,24,26)
InChIKeyJHAXEMDQJLNXNK-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-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241841
5-(4-ethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241837
5-(3,5-dichloroanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241902
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
N-(3-methylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109241871
5-(2-bromoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241887
N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242751
N-(4-acetylphenyl)-5-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245736
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
5-(4-acetylanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243465

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide (CID 109241874) is 5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is CC(=O)c1ccc(Nc2cncc(C(=O)Nc3cccc(C)c3)c2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is JHAXEMDQJLNXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-4-3-5-19(10-14)24-21(26)17-11-20(13-22-12-17)23-18-8-6-16(7-9-18)15(2)25/h3-13,23H,1-2H3,(H,24,26).
What are the key properties of 5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide?
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-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 5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109241874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).