3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide

C15H20Cl2N2O — CID 62406146

IUPAC3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
SMILESCCC(NC(=O)c1nc(Cl)ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-12(10-6-4-3-5-7-10)18-15(20)14-11(16)8-9-13(17)19-14/h8-10,12H,2-7H2,1H3,(H,18,20)
InChIKeyDNHDDOMFQFQRRC-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.48
Rot. Bonds4

About 3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide

3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide (PubChem CID 62406146) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
PubChem CID62406146
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
SMILESCCC(NC(=O)c1nc(Cl)ccc1Cl)C1CCCCC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-12(10-6-4-3-5-7-10)18-15(20)14-11(16)8-9-13(17)19-14/h8-10,12H,2-7H2,1H3,(H,18,20)
InChIKeyDNHDDOMFQFQRRC-UHFFFAOYSA-N
XLogP4.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.48
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

6-chloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide
CID 55069173
3,6-dichloro-N-hexan-2-ylpyridine-2-carboxamide
CID 62200974
N-(1-cyclohexylpropyl)-5-(methylamino)pyridine-2-carboxamide
CID 104641127
4-amino-N-(1-cyclohexylpropyl)-1-methylpyrazole-3-carboxamide
CID 65354049
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
3-chloro-N-(1-cyclohexylethyl)-6-hydrazinylpyridine-2-carboxamide
CID 62406912
N-(1-cyclohexylpropyl)-2-sulfanylbenzamide
CID 107028366
5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide
CID 63499195
3,6-dichloro-N-(1-hydroxy-3-methylbutan-2-yl)pyridine-2-carboxamide
CID 79249197
3,6-dichloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-2-carboxamide
CID 104956936
4-carbamothioyl-N-(1-cyclohexylpropyl)benzamide
CID 62405626
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide (CID 62406146) is 3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide is CCC(NC(=O)c1nc(Cl)ccc1Cl)C1CCCCC1.
What is the InChIKey of 3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide?
The InChIKey is DNHDDOMFQFQRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-12(10-6-4-3-5-7-10)18-15(20)14-11(16)8-9-13(17)19-14/h8-10,12H,2-7H2,1H3,(H,18,20).
What are the key properties of 3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide?
3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(1-cyclohexylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 62406146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).