N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide

C23H23N3O2 — CID 109243797

IUPACN-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(Nc3ccccc3C(C)C)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-15(2)21-6-4-5-7-22(21)25-20-12-18(13-24-14-20)23(28)26-19-10-8-17(9-11-19)16(3)27/h4-15,25H,1-3H3,(H,26,28)
InChIKeyRNVDZFDRBOHUBF-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.40
Rot. Bonds6

About N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide

N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide (PubChem CID 109243797) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
PubChem CID109243797
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(Nc3ccccc3C(C)C)c2)cc1
InChIInChI=1S/C23H23N3O2/c1-15(2)21-6-4-5-7-22(21)25-20-12-18(13-24-14-20)23(28)26-19-10-8-17(9-11-19)16(3)27/h4-15,25H,1-3H3,(H,26,28)
InChIKeyRNVDZFDRBOHUBF-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

5-(4-acetylanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243758
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198658
N-(1,3-benzodioxol-5-yl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243805
N-(4-acetylphenyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109245712
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
5-(2-propan-2-ylanilino)-N-propylpyridine-3-carboxamide
CID 109222867
N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177061
N-cyclopropyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109223659
5-(3,4-difluoroanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109243776
N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242751
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
3-N-(4-methoxyphenyl)-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109108597

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide (CID 109243797) is N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cncc(Nc3ccccc3C(C)C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
The InChIKey is RNVDZFDRBOHUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(2)21-6-4-5-7-22(21)25-20-12-18(13-24-14-20)23(28)26-19-10-8-17(9-11-19)16(3)27/h4-15,25H,1-3H3,(H,26,28).
What are the key properties of N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide?
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)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 N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109243797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).