2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide

C21H17N3O3 — CID 109090859

IUPAC2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C(=O)Nc3ccccc3)ccn2)c1
InChIInChI=1S/C21H17N3O3/c1-14(25)15-6-5-9-18(12-15)24-21(27)19-13-16(10-11-22-19)20(26)23-17-7-3-2-4-8-17/h2-13H,1H3,(H,23,26)(H,24,27)
InChIKeyKPMJBKHFECVCCD-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.79
Rot. Bonds5

About 2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide

2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109090859) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109090859
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C(=O)Nc3ccccc3)ccn2)c1
InChIInChI=1S/C21H17N3O3/c1-14(25)15-6-5-9-18(12-15)24-21(27)19-13-16(10-11-22-19)20(26)23-17-7-3-2-4-8-17/h2-13H,1H3,(H,23,26)(H,24,27)
InChIKeyKPMJBKHFECVCCD-UHFFFAOYSA-N
XLogP3.79
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
2-N-(3-acetylphenyl)-4-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093072
4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089304
2-N-(3-acetylphenyl)-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092202
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
2-N-(4-acetylphenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093206
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814
4-N-(3-acetylphenyl)-2-N-butan-2-ylpyridine-2,4-dicarboxamide
CID 109080259
4-N-(4-acetamidophenyl)-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091241
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090588

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide (CID 109090859) is 2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cc(C(=O)Nc3ccccc3)ccn2)c1.
What is the InChIKey of 2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is KPMJBKHFECVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14(25)15-6-5-9-18(12-15)24-21(27)19-13-16(10-11-22-19)20(26)23-17-7-3-2-4-8-17/h2-13H,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide?
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109090859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).