5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide

C15H20Cl2N2O — CID 63482413

IUPAC5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCCC1CCC(CNC(=O)c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-10-3-5-11(6-4-10)8-19-15(20)12-7-13(16)14(17)18-9-12/h7,9-11H,2-6,8H2,1H3,(H,19,20)
InChIKeyNHEQCHLLBRNXFB-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.33
Rot. Bonds4

About 5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide

5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide (PubChem CID 63482413) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
PubChem CID63482413
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
SMILESCCC1CCC(CNC(=O)c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H20Cl2N2O/c1-2-10-3-5-11(6-4-10)8-19-15(20)12-7-13(16)14(17)18-9-12/h7,9-11H,2-6,8H2,1H3,(H,19,20)
InChIKeyNHEQCHLLBRNXFB-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
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

5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107412465
6-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 47298591
3-chloro-N-[(4-ethylcyclohexyl)methyl]-4-hydroxybenzamide
CID 47441341
5-chloro-6-(ethylamino)-N-[(4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63499570
6-amino-5-chloro-N-(cyclobutylmethyl)pyridine-3-carboxamide
CID 62155457
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
5,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 103737222
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
2-chloro-N-[(4-ethylcyclohexyl)methyl]-5-sulfanylbenzamide
CID 107027247
5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide
CID 115627342
5,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-carboxamide
CID 107271693

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide (CID 63482413) is 5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide is CCC1CCC(CNC(=O)c2cnc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide?
The InChIKey is NHEQCHLLBRNXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-2-10-3-5-11(6-4-10)8-19-15(20)12-7-13(16)14(17)18-9-12/h7,9-11H,2-6,8H2,1H3,(H,19,20).
What are the key properties of 5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 63482413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).