N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide

C21H16N4O2 — CID 109245786

IUPACN-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C21H16N4O2/c1-14(26)16-5-3-7-19(9-16)25-21(27)17-10-20(13-23-12-17)24-18-6-2-4-15(8-18)11-22/h2-10,12-13,24H,1H3,(H,25,27)
InChIKeyAJNHQGJDOPNQHO-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.15
Rot. Bonds5

About N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide

N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide (PubChem CID 109245786) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
PubChem CID109245786
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C21H16N4O2/c1-14(26)16-5-3-7-19(9-16)25-21(27)17-10-20(13-23-12-17)24-18-6-2-4-15(8-18)11-22/h2-10,12-13,24H,1H3,(H,25,27)
InChIKeyAJNHQGJDOPNQHO-UHFFFAOYSA-N
XLogP4.15
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide
CID 109245862
5-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-3-carboxamide
CID 109245875
5-(3-cyanoanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243485
methyl 3-[[5-(3-acetylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245797
5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109243920
5-(3-cyanoanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223348
methyl 3-[[5-(4-cyanoanilino)pyridine-3-carbonyl]amino]benzoate
CID 109245941
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209
N-(3-cyanophenyl)-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109225107
N-(3-cyanophenyl)-5-(2,4-dichloroanilino)pyridine-3-carboxamide
CID 109246320
N-(3-cyanophenyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109246061
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide (CID 109245786) is N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cncc(Nc3cccc(C#N)c3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide?
The InChIKey is AJNHQGJDOPNQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14(26)16-5-3-7-19(9-16)25-21(27)17-10-20(13-23-12-17)24-18-6-2-4-15(8-18)11-22/h2-10,12-13,24H,1H3,(H,25,27).
What are the key properties of N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide?
N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-(3-cyanoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109245786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).