2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide

C13H17ClN2O — CID 43176373

IUPAC2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-4-2-3-5-11(9)16-13(17)10-6-7-15-12(14)8-10/h6-9,11H,2-5H2,1H3,(H,16,17)
InChIKeyTUUZGEHSAYNYQT-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.04
Rot. Bonds2

About 2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide

2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide (PubChem CID 43176373) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide
PubChem CID43176373
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-4-2-3-5-11(9)16-13(17)10-6-7-15-12(14)8-10/h6-9,11H,2-5H2,1H3,(H,16,17)
InChIKeyTUUZGEHSAYNYQT-UHFFFAOYSA-N
XLogP3.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.04
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 2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide (CID 43176373) is 2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide is CC1CCCCC1NC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is TUUZGEHSAYNYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-2-3-5-11(9)16-13(17)10-6-7-15-12(14)8-10/h6-9,11H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide?
2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 43176373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).