6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide

C13H17ClN2O — CID 2566057

IUPAC6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O/c14-12-7-6-11(9-15-12)13(17)16-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,17)
InChIKeyWFGVEDYTMDTIEF-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.05
Rot. Bonds3

About 6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide

6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide (PubChem CID 2566057) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
PubChem CID2566057
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc(Cl)nc1
InChIInChI=1S/C13H17ClN2O/c14-12-7-6-11(9-15-12)13(17)16-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,17)
InChIKeyWFGVEDYTMDTIEF-UHFFFAOYSA-N
XLogP3.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide (CID 2566057) is 6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide?
The InChIKey is WFGVEDYTMDTIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-7-6-11(9-15-12)13(17)16-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,17).
What are the key properties of 6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide?
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2566057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).