N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide

C23H23N3O2 — CID 109177061

IUPACN-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(Nc3ccccc3C(C)C)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-15(2)20-6-4-5-7-21(20)26-22-14-18(12-13-24-22)23(28)25-19-10-8-17(9-11-19)16(3)27/h4-15H,1-3H3,(H,24,26)(H,25,28)
InChIKeyWKXCQZXTYHIKBI-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.40
Rot. Bonds6

About N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide

N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide (PubChem CID 109177061) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
PubChem CID109177061
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(Nc3ccccc3C(C)C)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-15(2)20-6-4-5-7-21(20)26-22-14-18(12-13-24-22)23(28)25-19-10-8-17(9-11-19)16(3)27/h4-15H,1-3H3,(H,24,26)(H,25,28)
InChIKeyWKXCQZXTYHIKBI-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

methyl 4-[[4-[(2-propan-2-ylphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109177046
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243797
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198658
2-(4-acetylanilino)-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 109178114
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
N-(3-acetylphenyl)-2-(2-methyl-6-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177154
N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109178282
N-(4-acetamidophenyl)-2-(2-methoxyanilino)pyridine-4-carboxamide
CID 109177925
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220437
methyl 4-[[6-(2-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163018
N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
CID 109177842
5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243758

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide (CID 109177061) is N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2ccnc(Nc3ccccc3C(C)C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide?
The InChIKey is WKXCQZXTYHIKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(2)20-6-4-5-7-21(20)26-22-14-18(12-13-24-22)23(28)25-19-10-8-17(9-11-19)16(3)27/h4-15H,1-3H3,(H,24,26)(H,25,28).
What are the key properties of N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide?
N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-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 N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).