6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide

C15H21ClN2O2 — CID 62233137

IUPAC6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1cccc(Cl)n1
InChIInChI=1S/C15H21ClN2O2/c16-14-9-4-8-13(18-14)15(19)17-10-5-11-20-12-6-2-1-3-7-12/h4,8-9,12H,1-3,5-7,10-11H2,(H,17,19)
InChIKeySHWFTGFXMPVAQX-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.20
Rot. Bonds6

About 6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide

6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide (PubChem CID 62233137) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
PubChem CID62233137
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1cccc(Cl)n1
InChIInChI=1S/C15H21ClN2O2/c16-14-9-4-8-13(18-14)15(19)17-10-5-11-20-12-6-2-1-3-7-12/h4,8-9,12H,1-3,5-7,10-11H2,(H,17,19)
InChIKeySHWFTGFXMPVAQX-UHFFFAOYSA-N
XLogP3.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612
N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide
CID 77096220
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-chloro-N-(3-ethenoxypropyl)pyridine-2-carboxamide
CID 62233139
N-(3-cyclohexyloxypropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 24516413
2-amino-N-(3-cyclohexyloxypropyl)-1,3-thiazole-4-carboxamide
CID 62786886
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
CID 62233867
6-N-cyclopentyl-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109094939
2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
CID 83210511

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide (CID 62233137) is 6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide is O=C(NCCCOC1CCCCC1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide?
The InChIKey is SHWFTGFXMPVAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-14-9-4-8-13(18-14)15(19)17-10-5-11-20-12-6-2-1-3-7-12/h4,8-9,12H,1-3,5-7,10-11H2,(H,17,19).
What are the key properties of 6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide?
6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 62233137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).