5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide

C15H20Cl2N2O — CID 78926017

IUPAC5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
SMILESCC(C)C1CCCCC1NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-9(2)11-5-3-4-6-13(11)19-15(20)10-7-12(16)14(17)18-8-10/h7-9,11,13H,3-6H2,1-2H3,(H,19,20)
InChIKeyDOFAYVNIHLZREZ-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.33
Rot. Bonds3

About 5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide

5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide (PubChem CID 78926017) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
PubChem CID78926017
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide
SMILESCC(C)C1CCCCC1NC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O/c1-9(2)11-5-3-4-6-13(11)19-15(20)10-7-12(16)14(17)18-8-10/h7-9,11,13H,3-6H2,1-2H3,(H,19,20)
InChIKeyDOFAYVNIHLZREZ-UHFFFAOYSA-N
XLogP4.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.33
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

4-amino-3,5-dichloro-N-(2-propan-2-ylcyclohexyl)benzamide
CID 82813808
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
5-chloro-N-(2-hydroxycyclohexyl)-6-(methylamino)pyridine-3-carboxamide
CID 55063853
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 98929416
[(2S)-1-[[(1S,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate
CID 51730287
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 61367940
5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 54950034
5,6-dichloro-N-(3,3-dimethylcyclopentyl)pyridine-3-carboxamide
CID 113345464
1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-one
CID 87574101
5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide (CID 78926017) is 5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide is CC(C)C1CCCCC1NC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide?
The InChIKey is DOFAYVNIHLZREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-9(2)11-5-3-4-6-13(11)19-15(20)10-7-12(16)14(17)18-8-10/h7-9,11,13H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-propan-2-ylcyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 78926017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).