3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide

C14H19ClN2O — CID 66482743

IUPAC3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
SMILESCCC1CCCCC1NC(=O)c1ccncc1Cl
InChIInChI=1S/C14H19ClN2O/c1-2-10-5-3-4-6-13(10)17-14(18)11-7-8-16-9-12(11)15/h7-10,13H,2-6H2,1H3,(H,17,18)
InChIKeyAXSSOKXDTHDATB-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.43
Rot. Bonds3

About 3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide

3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide (PubChem CID 66482743) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
PubChem CID66482743
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
SMILESCCC1CCCCC1NC(=O)c1ccncc1Cl
InChIInChI=1S/C14H19ClN2O/c1-2-10-5-3-4-6-13(10)17-14(18)11-7-8-16-9-12(11)15/h7-10,13H,2-6H2,1H3,(H,17,18)
InChIKeyAXSSOKXDTHDATB-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-ethylcyclohexyl)-3-hydroxypyridine-4-carboxamide
CID 81443584
N-(2-ethylcyclohexyl)-3-fluoropyridine-4-carboxamide
CID 115645871
N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
CID 66483792
3-chloro-N-(2,2-dimethylcyclohexyl)pyridine-4-carboxamide
CID 79877759
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyridine-4-carboxamide
CID 66482736
3-chloro-N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 66484717
N-(azepan-3-yl)-3-chloropyridine-4-carboxamide
CID 66482428
3-chloro-N-(5-methyl-2-propan-2-ylcyclohexyl)pyridine-4-carboxamide
CID 66482936
3-chloro-N-(3,5-dimethylcyclohexyl)pyridine-4-carboxamide
CID 66482604
3-(ethylamino)-N-(2-hydroxycycloheptyl)pyridine-4-carboxamide
CID 105071069
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
3-chloro-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-4-carboxamide
CID 91781029

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide (CID 66482743) is 3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide is CCC1CCCCC1NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is AXSSOKXDTHDATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-10-5-3-4-6-13(10)17-14(18)11-7-8-16-9-12(11)15/h7-10,13H,2-6H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 66482743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).