3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide

C15H20Cl2N2O2 — CID 38715612

IUPAC3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c16-12-7-8-13(17)19-14(12)15(20)18-9-4-10-21-11-5-2-1-3-6-11/h7-8,11H,1-6,9-10H2,(H,18,20)
InChIKeyHRECCPOMINGFKD-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.86
Rot. Bonds6

About 3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide

3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide (PubChem CID 38715612) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
PubChem CID38715612
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H20Cl2N2O2/c16-12-7-8-13(17)19-14(12)15(20)18-9-4-10-21-11-5-2-1-3-6-11/h7-8,11H,1-6,9-10H2,(H,18,20)
InChIKeyHRECCPOMINGFKD-UHFFFAOYSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.86
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

6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 62233137
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
5-chloro-N-(3-cyclohexyloxypropyl)-2-hydroxybenzamide
CID 31852388
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
2-bromo-4-chloro-N-(3-cyclohexyloxypropyl)benzamide
CID 103763503
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
CID 77084205
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
CID 106501857

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide (CID 38715612) is 3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide is O=C(NCCCOC1CCCCC1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide?
The InChIKey is HRECCPOMINGFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c16-12-7-8-13(17)19-14(12)15(20)18-9-4-10-21-11-5-2-1-3-6-11/h7-8,11H,1-6,9-10H2,(H,18,20).
What are the key properties of 3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide has a molecular weight of 331.24 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 38715612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).