5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide

C13H15ClN4O — CID 107371975

IUPAC5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnc(Cl)cn1)C1(C#N)CCCCC1
InChIInChI=1S/C13H15ClN4O/c1-18(13(9-15)5-3-2-4-6-13)12(19)10-7-17-11(14)8-16-10/h7-8H,2-6H2,1H3
InChIKeyYDXLSUIIEJOUML-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.43
Rot. Bonds2

About 5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide

5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide (PubChem CID 107371975) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide
PubChem CID107371975
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnc(Cl)cn1)C1(C#N)CCCCC1
InChIInChI=1S/C13H15ClN4O/c1-18(13(9-15)5-3-2-4-6-13)12(19)10-7-17-11(14)8-16-10/h7-8H,2-6H2,1H3
InChIKeyYDXLSUIIEJOUML-UHFFFAOYSA-N
XLogP2.43
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-(1-cyanocyclohexyl)-N-methylpyridine-4-carboxamide
CID 61215479
5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
CID 107248634
2-bromo-4-chloro-N-(1-cyanocyclohexyl)-N-methylbenzamide
CID 107988089
N-(1-cyanocyclobutyl)-3-hydroxy-N,5-dimethylpyridine-2-carboxamide
CID 154752802
N-(1-cyanocyclopentyl)-4-fluoro-N-methylbenzamide
CID 82130674
N-(1-cyanocyclopentyl)-N-methylacetamide
CID 82125090
3-bromo-N-(1-cyanocyclohexyl)-4-fluoro-N-methylbenzamide
CID 107951776
(2R)-2-chloro-N-(1-cyanocyclohexyl)-N-methylpropanamide
CID 7131211
5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide
CID 107371836
2-(4-bromo-2-chlorophenoxy)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 7382488
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 7351902
1-(dimethylamino)cyclooctane-1-carbonitrile
CID 43802603

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide (CID 107371975) is 5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide is CN(C(=O)c1cnc(Cl)cn1)C1(C#N)CCCCC1.
What is the InChIKey of 5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide?
The InChIKey is YDXLSUIIEJOUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-18(13(9-15)5-3-2-4-6-13)12(19)10-7-17-11(14)8-16-10/h7-8H,2-6H2,1H3.
What are the key properties of 5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide?
5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanocyclohexyl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 107371975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).