3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide

C14H19ClN2O — CID 79877759

IUPAC3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide
SMILESCC1(C)CCCCC1NC(=O)c1ccncc1Cl
InChIInChI=1S/C14H19ClN2O/c1-14(2)7-4-3-5-12(14)17-13(18)10-6-8-16-9-11(10)15/h6,8-9,12H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyRRQHJOGHJILUCS-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.43
Rot. Bonds2

About 3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide

3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide (PubChem CID 79877759) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide
PubChem CID79877759
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide
SMILESCC1(C)CCCCC1NC(=O)c1ccncc1Cl
InChIInChI=1S/C14H19ClN2O/c1-14(2)7-4-3-5-12(14)17-13(18)10-6-8-16-9-11(10)15/h6,8-9,12H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyRRQHJOGHJILUCS-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylcyclohexyl)-3-hydroxypyridine-4-carboxamide
CID 81443518
5-chloro-N-(2,2-dimethylcyclopentyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924065
1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 66463581
5-amino-2,3-dichloro-N-(2,2-dimethylcyclohexyl)benzamide
CID 107185521
3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 66482743
N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
CID 66483792
6-amino-3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-2-carboxamide
CID 79873055
2-[(2-chloro-4-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 106860690
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639
2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 66464958
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
3-chloro-N-(3,5-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66482604

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide (CID 79877759) is 3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide is CC1(C)CCCCC1NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is RRQHJOGHJILUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(2)7-4-3-5-12(14)17-13(18)10-6-8-16-9-11(10)15/h6,8-9,12H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide?
3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 79877759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).