N-(4-methylcyclohexyl)pyrazine-2-carboxamide

C12H17N3O — CID 1448557

IUPACN-(4-methylcyclohexyl)pyrazine-2-carboxamide
SMILESCC1CCC(NC(=O)c2cnccn2)CC1
InChIInChI=1S/C12H17N3O/c1-9-2-4-10(5-3-9)15-12(16)11-8-13-6-7-14-11/h6-10H,2-5H2,1H3,(H,15,16)
InChIKeyNRHYZHQYUBDVEF-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.79
Rot. Bonds2

About N-(4-methylcyclohexyl)pyrazine-2-carboxamide

N-(4-methylcyclohexyl)pyrazine-2-carboxamide (PubChem CID 1448557) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)pyrazine-2-carboxamide
PubChem CID1448557
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-(4-methylcyclohexyl)pyrazine-2-carboxamide
SMILESCC1CCC(NC(=O)c2cnccn2)CC1
InChIInChI=1S/C12H17N3O/c1-9-2-4-10(5-3-9)15-12(16)11-8-13-6-7-14-11/h6-10H,2-5H2,1H3,(H,15,16)
InChIKeyNRHYZHQYUBDVEF-UHFFFAOYSA-N
XLogP1.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylcyclohexyl)pyrazine-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

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)pyrazine-2-carboxamide (CID 1448557) is N-(4-methylcyclohexyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)pyrazine-2-carboxamide is CC1CCC(NC(=O)c2cnccn2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)pyrazine-2-carboxamide?
The InChIKey is NRHYZHQYUBDVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-2-4-10(5-3-9)15-12(16)11-8-13-6-7-14-11/h6-10H,2-5H2,1H3,(H,15,16).
What are the key properties of N-(4-methylcyclohexyl)pyrazine-2-carboxamide?
N-(4-methylcyclohexyl)pyrazine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)pyrazine-2-carboxamide is sourced from PubChem (CID 1448557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).