6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide

C13H18ClN3O — CID 106551213

IUPAC6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
SMILESCC1CCC(CNC(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O/c1-9-2-4-10(5-3-9)6-16-13(18)11-7-15-8-12(14)17-11/h7-10H,2-6H2,1H3,(H,16,18)
InChIKeyFZDLMGLAJPPUBU-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.69
Rot. Bonds3

About 6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide

6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide (PubChem CID 106551213) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
PubChem CID106551213
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide
SMILESCC1CCC(CNC(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O/c1-9-2-4-10(5-3-9)6-16-13(18)11-7-15-8-12(14)17-11/h7-10H,2-6H2,1H3,(H,16,18)
InChIKeyFZDLMGLAJPPUBU-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide (CID 106551213) is 6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide is CC1CCC(CNC(=O)c2cncc(Cl)n2)CC1.
What is the InChIKey of 6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide?
The InChIKey is FZDLMGLAJPPUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9-2-4-10(5-3-9)6-16-13(18)11-7-15-8-12(14)17-11/h7-10H,2-6H2,1H3,(H,16,18).
What are the key properties of 6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide?
6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methylcyclohexyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).