2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide

C16H24ClN3O — CID 63499362

IUPAC2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC2CCCCC2CC)cc(Cl)n1
InChIInChI=1S/C16H24ClN3O/c1-3-11-7-5-6-8-13(11)19-16(21)12-9-14(17)20-15(10-12)18-4-2/h9-11,13H,3-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOPBAYUGYDSCOOY-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.87
Rot. Bonds5

About 2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide (PubChem CID 63499362) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
PubChem CID63499362
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC2CCCCC2CC)cc(Cl)n1
InChIInChI=1S/C16H24ClN3O/c1-3-11-7-5-6-8-13(11)19-16(21)12-9-14(17)20-15(10-12)18-4-2/h9-11,13H,3-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOPBAYUGYDSCOOY-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide
CID 114109652
2,6-dichloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-4-carboxamide
CID 103860531
2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide
CID 79872955
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890
2-chloro-6-hydrazinyl-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 62248861
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 113464140
2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 63657981
2-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-4-carboxamide
CID 62175112
2-chloro-6-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586203
2-chloro-N-(2-ethylcyclopropyl)-6-propylpyridine-4-carboxamide
CID 114107737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide (CID 63499362) is 2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NC2CCCCC2CC)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
The InChIKey is OPBAYUGYDSCOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-3-11-7-5-6-8-13(11)19-16(21)12-9-14(17)20-15(10-12)18-4-2/h9-11,13H,3-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide is sourced from PubChem (CID 63499362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).