4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide

C13H14ClN3O — CID 78831230

IUPAC4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(Cl)ccn2)CCCCC1
InChIInChI=1S/C13H14ClN3O/c14-10-4-7-16-11(8-10)12(18)17-13(9-15)5-2-1-3-6-13/h4,7-8H,1-3,5-6H2,(H,17,18)
InChIKeyXLEZHSNQIBBJDX-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.69
Rot. Bonds2

About 4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide

4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide (PubChem CID 78831230) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
PubChem CID78831230
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
SMILESN#CC1(NC(=O)c2cc(Cl)ccn2)CCCCC1
InChIInChI=1S/C13H14ClN3O/c14-10-4-7-16-11(8-10)12(18)17-13(9-15)5-2-1-3-6-13/h4,7-8H,1-3,5-6H2,(H,17,18)
InChIKeyXLEZHSNQIBBJDX-UHFFFAOYSA-N
XLogP2.69
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
CID 107248634
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 160579083
6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide
CID 114036737
5-chloro-N-(1-cyanocyclohexyl)-2-iodobenzamide
CID 86986055
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
4-chloro-N-(1-cyanocyclobutyl)-5-ethylpyridine-2-carboxamide
CID 166087576
2-(3-chlorophenyl)-N-(1-cyanocyclobutyl)-1,3-thiazole-4-carboxamide
CID 47084109
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
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3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
CID 103827162

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide (CID 78831230) is 4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide is N#CC1(NC(=O)c2cc(Cl)ccn2)CCCCC1.
What is the InChIKey of 4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide?
The InChIKey is XLEZHSNQIBBJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-4-7-16-11(8-10)12(18)17-13(9-15)5-2-1-3-6-13/h4,7-8H,1-3,5-6H2,(H,17,18).
What are the key properties of 4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide?
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 78831230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).