N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide

C20H17N3O2 — CID 109218881

IUPACN-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(Nc3ccccc3)ccn2)c1
InChIInChI=1S/C20H17N3O2/c1-14(24)15-6-5-9-17(12-15)23-20(25)19-13-18(10-11-21-19)22-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,22)(H,23,25)
InChIKeyAHXXMFZRLCNJNT-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.28
Rot. Bonds5

About N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide

N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide (PubChem CID 109218881) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
PubChem CID109218881
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(Nc3ccccc3)ccn2)c1
InChIInChI=1S/C20H17N3O2/c1-14(24)15-6-5-9-17(12-15)23-20(25)19-13-18(10-11-21-19)22-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,22)(H,23,25)
InChIKeyAHXXMFZRLCNJNT-UHFFFAOYSA-N
XLogP4.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
methyl 3-[[4-(4-acetylanilino)pyridine-2-carbonyl]amino]benzoate
CID 109222174
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
4-(3-acetylanilino)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109220139
N-(3-acetylphenyl)-4-(3,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109222033
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221907
4-(3-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222149
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide (CID 109218881) is N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(Nc3ccccc3)ccn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide?
The InChIKey is AHXXMFZRLCNJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14(24)15-6-5-9-17(12-15)23-20(25)19-13-18(10-11-21-19)22-16-7-3-2-4-8-16/h2-13H,1H3,(H,21,22)(H,23,25).
What are the key properties of N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide?
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide is sourced from PubChem (CID 109218881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).