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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Related Compounds

2,4-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 58475112
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]cyclopentyl]pyrazine-2-carboxamide
CID 123946452
2-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]-5-(trifluoromethyl)-1,5-dihydropyrazole-4-carboxamide
CID 143239255
1-N,3-N,5-N-tris(2-butan-2-ylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67414309
5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
CID 78926017
3-chloro-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]pyrazine-2-carboxamide
CID 151388664
(2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-N-[2-(4-methylpentan-2-yl)cyclohexyl]butanamide
CID 143239261
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 104927396
N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide
CID 113395039
(2E)-2-[[ethenyl(methyl)amino]methylidene]-3-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]but-3-enamide
CID 143239263
(3-chloropyrazin-2-yl)-cyclopropylmethanone
CID 175943753

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).