N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide

C21H16N4O2 — CID 109178483

IUPACN-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(Nc3ccc(C#N)cc3)c2)c1
InChIInChI=1S/C21H16N4O2/c1-14(26)16-3-2-4-19(11-16)25-21(27)17-9-10-23-20(12-17)24-18-7-5-15(13-22)6-8-18/h2-12H,1H3,(H,23,24)(H,25,27)
InChIKeyBYLLGHBWUATKTI-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.15
Rot. Bonds5

About N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide

N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide (PubChem CID 109178483) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
PubChem CID109178483
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(Nc3ccc(C#N)cc3)c2)c1
InChIInChI=1S/C21H16N4O2/c1-14(26)16-3-2-4-19(11-16)25-21(27)17-9-10-23-20(12-17)24-18-7-5-15(13-22)6-8-18/h2-12H,1H3,(H,23,24)(H,25,27)
InChIKeyBYLLGHBWUATKTI-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

2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
N-(3-acetamidophenyl)-2-(4-acetylanilino)pyridine-4-carboxamide
CID 109178526
2-(3-acetylanilino)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109177507
N-(3-acetylphenyl)-5-(4-cyanoanilino)pyrazine-2-carboxamide
CID 109294044
2-(4-cyanoanilino)-N-(2,6-difluorophenyl)pyridine-4-carboxamide
CID 109179026
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212
2-(3-acetylanilino)-N-(4-cyanophenyl)pyrimidine-5-carboxamide
CID 109270091
2-(4-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177130
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177184
N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109177662
N-(4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62249045

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide (CID 109178483) is N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(Nc3ccc(C#N)cc3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide?
The InChIKey is BYLLGHBWUATKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14(26)16-3-2-4-19(11-16)25-21(27)17-9-10-23-20(12-17)24-18-7-5-15(13-22)6-8-18/h2-12H,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide?
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-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)-2-(4-cyanoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109178483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).