5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide

C23H23N3O2 — CID 109243758

IUPAC5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2cncc(C(=O)Nc3ccccc3C(C)C)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-15(2)21-6-4-5-7-22(21)26-23(28)18-12-20(14-24-13-18)25-19-10-8-17(9-11-19)16(3)27/h4-15,25H,1-3H3,(H,26,28)
InChIKeyZFXSEUNSIJFKDR-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.40
Rot. Bonds6

About 5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide

5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109243758) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID109243758
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2cncc(C(=O)Nc3ccccc3C(C)C)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-15(2)21-6-4-5-7-22(21)26-23(28)18-12-20(14-24-13-18)25-19-10-8-17(9-11-19)16(3)27/h4-15,25H,1-3H3,(H,26,28)
InChIKeyZFXSEUNSIJFKDR-UHFFFAOYSA-N
XLogP5.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243797
5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243776
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243767
5-(butan-2-ylamino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109225408
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
3-N-(4-methoxyphenyl)-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108597
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
5-anilino-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109241555
5-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109232147
4-(methylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 62185459
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243805
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109243758) is 5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is CC(=O)c1ccc(Nc2cncc(C(=O)Nc3ccccc3C(C)C)c2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is ZFXSEUNSIJFKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(2)21-6-4-5-7-22(21)26-23(28)18-12-20(14-24-13-18)25-19-10-8-17(9-11-19)16(3)27/h4-15,25H,1-3H3,(H,26,28).
What are the key properties of 5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide?
5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109243758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).