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

C23H23N3O2 — CID 109198658

IUPACN-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3C(C)C)cn2)cc1
InChIInChI=1S/C23H23N3O2/c1-15(2)20-6-4-5-7-21(20)25-19-12-13-22(24-14-19)23(28)26-18-10-8-17(9-11-18)16(3)27/h4-15,25H,1-3H3,(H,26,28)
InChIKeyAQASFJUCGFKZEM-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.40
Rot. Bonds6

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

N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide (PubChem CID 109198658) 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-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
PubChem CID109198658
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3C(C)C)cn2)cc1
InChIInChI=1S/C23H23N3O2/c1-15(2)20-6-4-5-7-21(20)25-19-12-13-22(24-14-19)23(28)26-18-10-8-17(9-11-18)16(3)27/h4-15,25H,1-3H3,(H,26,28)
InChIKeyAQASFJUCGFKZEM-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-fluoroanilino)pyridine-2-carboxamide
CID 109198907
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243797
N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177061
N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183920
N-(4-acetamidophenyl)-4-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109220437
4-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017755
N-methyl-N-phenyl-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109197573
N-(2-propan-2-ylphenyl)-5-(prop-2-enylamino)pyridine-2-carboxamide
CID 109180529
N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide
CID 109197257
N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316027
N-(3-acetylphenyl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109199996

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide (CID 109198658) is N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3C(C)C)cn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide?
The InChIKey is AQASFJUCGFKZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(2)20-6-4-5-7-21(20)25-19-12-13-22(24-14-19)23(28)26-18-10-8-17(9-11-18)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-2-carboxamide?
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-2-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-2-carboxamide is sourced from PubChem (CID 109198658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).