6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide

C15H21ClN2O — CID 55069173

IUPAC6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(Cl)n1)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-2-12(11-7-4-3-5-8-11)18-15(19)13-9-6-10-14(16)17-13/h6,9-12H,2-5,7-8H2,1H3,(H,18,19)
InChIKeyZVHDPQDYDDJDTP-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.82
Rot. Bonds4

About 6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide

6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide (PubChem CID 55069173) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
PubChem CID55069173
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
SMILESCCC(NC(=O)c1cccc(Cl)n1)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-2-12(11-7-4-3-5-8-11)18-15(19)13-9-6-10-14(16)17-13/h6,9-12H,2-5,7-8H2,1H3,(H,18,19)
InChIKeyZVHDPQDYDDJDTP-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.82
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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Related Compounds

3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
CID 62406146
6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
N-(1-cyclohexylpropyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641127
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
6-chloro-N-[(3R)-4-oxohexan-3-yl]pyridine-2-carboxamide
CID 129388932
N-(1-cyclohexylpropyl)-1,3-thiazole-4-carboxamide
CID 63050141
N-(1-cyclohexylpropyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62407615
6-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 115902016
N-(1-cyclohexylpropyl)-2-sulfanylbenzamide
CID 107028366
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62232953
6-chloro-N-(2-cyclopropylpropyl)pyridine-2-carboxamide
CID 115599506

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide (CID 55069173) is 6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide is CCC(NC(=O)c1cccc(Cl)n1)C1CCCCC1.
What is the InChIKey of 6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide?
The InChIKey is ZVHDPQDYDDJDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-12(11-7-4-3-5-8-11)18-15(19)13-9-6-10-14(16)17-13/h6,9-12H,2-5,7-8H2,1H3,(H,18,19).
What are the key properties of 6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide?
6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 55069173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).