N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide

C21H17N5O2 — CID 109200420

IUPACN-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Nc3ccccc3C#N)cn2)c1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-16-6-4-7-17(11-16)26-21(28)20-10-9-18(13-23-20)25-19-8-3-2-5-15(19)12-22/h2-11,13,25H,1H3,(H,24,27)(H,26,28)
InChIKeyOUPHDFLIHOUGGA-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.91
Rot. Bonds5

About N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide

N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide (PubChem CID 109200420) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide
PubChem CID109200420
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(Nc3ccccc3C#N)cn2)c1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-16-6-4-7-17(11-16)26-21(28)20-10-9-18(13-23-20)25-19-8-3-2-5-15(19)12-22/h2-11,13,25H,1H3,(H,24,27)(H,26,28)
InChIKeyOUPHDFLIHOUGGA-UHFFFAOYSA-N
XLogP3.91
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200498
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
CID 109294144
N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109195159
N-(3-acetamidophenyl)-6-(2-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850860
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200785
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
N-(3-acetylphenyl)-5-(2-methylanilino)pyridine-2-carboxamide
CID 109197257
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
CID 109245887
5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195596
4-(2-cyanoanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219127
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide (CID 109200420) is N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(Nc3ccccc3C#N)cn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide?
The InChIKey is OUPHDFLIHOUGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14(27)24-16-6-4-7-17(11-16)26-21(28)20-10-9-18(13-23-20)25-19-8-3-2-5-15(19)12-22/h2-11,13,25H,1H3,(H,24,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide?
N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109200420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).