6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide

C13H8N8O — CID 170774245

IUPAC6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cncnc2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H8N8O/c14-4-9-3-11(12(22)18-10-5-16-7-17-6-10)20-13(19-9)21-2-1-15-8-21/h1-3,5-8H,(H,18,22)
InChIKeyLDDLPICZAWGYJP-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.58
Rot. Bonds3

About 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide

6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide (PubChem CID 170774245) has the molecular formula C13H8N8O and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide
PubChem CID170774245
Molecular FormulaC13H8N8O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2cncnc2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H8N8O/c14-4-9-3-11(12(22)18-10-5-16-7-17-6-10)20-13(19-9)21-2-1-15-8-21/h1-3,5-8H,(H,18,22)
InChIKeyLDDLPICZAWGYJP-UHFFFAOYSA-N
XLogP0.58
TPSA122.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-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

2-imidazol-1-yl-N-pyridin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774168
N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122300799
6-(2-hydroxy-2-methylpropoxy)-2-imidazol-1-yl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidine-4-carboxamide
CID 169005991
N-(3-fluoro-5-piperazin-1-ylphenyl)-2-imidazol-1-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
CID 170774185
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
CID 166481334
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
2,4-difluoro-N-(2-imidazol-1-ylpyrimidin-5-yl)benzamide
CID 121112607
N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122300931
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-nitrobenzamide
CID 122300962
6-chloro-N-(3-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 103337237
N-(4-imidazol-1-ylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 86920859
2-amino-6-methyl-N-pyrimidin-5-ylpyrimidine-4-carboxamide
CID 114220494

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide (CID 170774245) is 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide is N#Cc1cc(C(=O)Nc2cncnc2)nc(-n2ccnc2)n1.
What is the InChIKey of 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide?
The InChIKey is LDDLPICZAWGYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N8O/c14-4-9-3-11(12(22)18-10-5-16-7-17-6-10)20-13(19-9)21-2-1-15-8-21/h1-3,5-8H,(H,18,22).
What are the key properties of 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide?
6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-2-imidazol-1-yl-N-pyrimidin-5-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 170774245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).