N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide

C13H15N5O — CID 170774193

IUPACN-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O/c19-12(16-10-3-1-2-4-10)11-5-6-15-13(17-11)18-8-7-14-9-18/h5-10H,1-4H2,(H,16,19)
InChIKeyKHFMNYYHRPGPLQ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.33
Rot. Bonds3

About N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide

N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide (PubChem CID 170774193) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide
PubChem CID170774193
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide
SMILESO=C(NC1CCCC1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O/c19-12(16-10-3-1-2-4-10)11-5-6-15-13(17-11)18-8-7-14-9-18/h5-10H,1-4H2,(H,16,19)
InChIKeyKHFMNYYHRPGPLQ-UHFFFAOYSA-N
XLogP1.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-imidazol-1-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

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide (CID 170774193) is N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide is O=C(NC1CCCC1)c1ccnc(-n2ccnc2)n1.
What is the InChIKey of N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is KHFMNYYHRPGPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-12(16-10-3-1-2-4-10)11-5-6-15-13(17-11)18-8-7-14-9-18/h5-10H,1-4H2,(H,16,19).
What are the key properties of N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide?
N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-imidazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 170774193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).