N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide

C18H19N5O — CID 109250637

IUPACN-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(NC3CCCCC3)nc2)cc1
InChIInChI=1S/C18H19N5O/c19-10-13-6-8-16(9-7-13)22-17(24)14-11-20-18(21-12-14)23-15-4-2-1-3-5-15/h6-9,11-12,15H,1-5H2,(H,22,24)(H,20,21,23)
InChIKeyZRRBZXWXHNLSIF-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.35
Rot. Bonds4

About N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide

N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide (PubChem CID 109250637) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
PubChem CID109250637
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnc(NC3CCCCC3)nc2)cc1
InChIInChI=1S/C18H19N5O/c19-10-13-6-8-16(9-7-13)22-17(24)14-11-20-18(21-12-14)23-15-4-2-1-3-5-15/h6-9,11-12,15H,1-5H2,(H,22,24)(H,20,21,23)
InChIKeyZRRBZXWXHNLSIF-UHFFFAOYSA-N
XLogP3.35
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-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-(4-cyanophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226990
2-(4-cyanoanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250453
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
N-(4-cyanophenyl)-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311519
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109249860
2-(4-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270322
N-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249827
4-N-(4-cyanophenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109081016
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
N-(4-cyanophenyl)-2-[4-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109270050
4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(4-ethylphenyl)benzamide
CID 53108614

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide (CID 109250637) is N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide is N#Cc1ccc(NC(=O)c2cnc(NC3CCCCC3)nc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The InChIKey is ZRRBZXWXHNLSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-10-13-6-8-16(9-7-13)22-17(24)14-11-20-18(21-12-14)23-15-4-2-1-3-5-15/h6-9,11-12,15H,1-5H2,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide?
N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).