2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide

C20H14N6O — CID 109338178

IUPAC2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#N)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C20H14N6O/c1-13-10-18(19(27)24-16-8-4-2-6-14(16)11-21)26-20(23-13)25-17-9-5-3-7-15(17)12-22/h2-10H,1H3,(H,24,27)(H,23,25,26)
InChIKeyMTWISMYICRNKRY-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.52
Rot. Bonds4

About 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide

2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109338178) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109338178
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C#N)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C20H14N6O/c1-13-10-18(19(27)24-16-8-4-2-6-14(16)11-21)26-20(23-13)25-17-9-5-3-7-15(17)12-22/h2-10H,1H3,(H,24,27)(H,23,25,26)
InChIKeyMTWISMYICRNKRY-UHFFFAOYSA-N
XLogP3.52
TPSA114.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-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

N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336209
N-(2-cyanophenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337446
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337478
2-(4-chloro-2-methylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337276
2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336942
N-(2-cyanophenyl)-2-(2,6-diethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336635
N-(2-cyanophenyl)-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337510
2-(2-chloro-4,6-dimethylanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337375
N-(2-cyanophenyl)-2-(3,4-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337762
N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332917
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
N-(2-cyanophenyl)-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328716

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide (CID 109338178) is 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C#N)nc(Nc2ccccc2C#N)n1.
What is the InChIKey of 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is MTWISMYICRNKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c1-13-10-18(19(27)24-16-8-4-2-6-14(16)11-21)26-20(23-13)25-17-9-5-3-7-15(17)12-22/h2-10H,1H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide?
2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).