3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide

C17H26ClN3O — CID 11508087

IUPAC3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide
SMILESCC(C)CC(C)C1CCCCC1NC(=O)c1nccnc1Cl
InChIInChI=1S/C17H26ClN3O/c1-11(2)10-12(3)13-6-4-5-7-14(13)21-17(22)15-16(18)20-9-8-19-15/h8-9,11-14H,4-7,10H2,1-3H3,(H,21,22)
InChIKeyCKLLCOATRYPBPG-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.10
Rot. Bonds5

About 3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide

3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide (PubChem CID 11508087) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide
PubChem CID11508087
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide
SMILESCC(C)CC(C)C1CCCCC1NC(=O)c1nccnc1Cl
InChIInChI=1S/C17H26ClN3O/c1-11(2)10-12(3)13-6-4-5-7-14(13)21-17(22)15-16(18)20-9-8-19-15/h8-9,11-14H,4-7,10H2,1-3H3,(H,21,22)
InChIKeyCKLLCOATRYPBPG-UHFFFAOYSA-N
XLogP4.10
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of 3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide (CID 11508087) is 3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide is CC(C)CC(C)C1CCCCC1NC(=O)c1nccnc1Cl.
What is the InChIKey of 3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is CKLLCOATRYPBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-11(2)10-12(3)13-6-4-5-7-14(13)21-17(22)15-16(18)20-9-8-19-15/h8-9,11-14H,4-7,10H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide?
3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 323.87 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 11508087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).