5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide

C13H18ClN3O — CID 107257826

IUPAC5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide
SMILESCCC1CCCC(NC(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C13H18ClN3O/c1-2-9-4-3-5-10(6-9)17-13(18)11-7-16-12(14)8-15-11/h7-10H,2-6H2,1H3,(H,17,18)
InChIKeyWWHVQVFXZFEBGJ-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.83
Rot. Bonds3

About 5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide

5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide (PubChem CID 107257826) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide
PubChem CID107257826
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide
SMILESCCC1CCCC(NC(=O)c2cnc(Cl)cn2)C1
InChIInChI=1S/C13H18ClN3O/c1-2-9-4-3-5-10(6-9)17-13(18)11-7-16-12(14)8-15-11/h7-10H,2-6H2,1H3,(H,17,18)
InChIKeyWWHVQVFXZFEBGJ-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-(3-ethylcyclohexyl)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

Related Compounds

5-cyano-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64748832
5-chloro-N-(2-methylcyclopentyl)pyrazine-2-carboxamide
CID 103817301
4-amino-N-(3-ethylcyclohexyl)pyridine-2-carboxamide
CID 64741870
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 107240375
5-amino-N-(4-ethylcyclohexyl)pyrazine-2-carboxamide
CID 113381877
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
CID 112575980
N-(3-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115646195
N-(3-ethylcyclohexyl)-4-(methylamino)pyridine-3-carboxamide
CID 81244940
2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697211
N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793298

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide (CID 107257826) is 5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide is CCC1CCCC(NC(=O)c2cnc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide?
The InChIKey is WWHVQVFXZFEBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-9-4-3-5-10(6-9)17-13(18)11-7-16-12(14)8-15-11/h7-10H,2-6H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide?
5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethylcyclohexyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107257826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).