5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide

C16H24ClN3O — CID 114924211

IUPAC5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC2CCCC(C)(C)C2)c(Cl)cn1
InChIInChI=1S/C16H24ClN3O/c1-4-18-14-8-12(13(17)10-19-14)15(21)20-11-6-5-7-16(2,3)9-11/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyIPNQYJFLJUJECK-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide

5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide (PubChem CID 114924211) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide
PubChem CID114924211
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC2CCCC(C)(C)C2)c(Cl)cn1
InChIInChI=1S/C16H24ClN3O/c1-4-18-14-8-12(13(17)10-19-14)15(21)20-11-6-5-7-16(2,3)9-11/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyIPNQYJFLJUJECK-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

5-chloro-N-cyclohexyl-2-(ethylamino)pyridine-4-carboxamide
CID 114921677
5-chloro-2-(ethylamino)-N-(4-methylcyclohexyl)pyridine-4-carboxamide
CID 104983746
5-chloro-2-(ethylamino)-N-(3-ethyl-2-methylcyclopentyl)pyridine-4-carboxamide
CID 114923849
5-chloro-N-cyclobutyl-2-(methylamino)pyridine-4-carboxamide
CID 114923292
5-chloro-N-(dicyclopropylmethyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923170
5-chloro-N-cyclopentyl-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114922154
5-chloro-2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-carboxamide
CID 114923855
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
5-chloro-N-(2,2-dimethylcyclopentyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924065
N-(3,3-dimethylcyclopentyl)-5-(ethylamino)pyridine-2-carboxamide
CID 114540713
2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
CID 115540906
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide (CID 114924211) is 5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)NC2CCCC(C)(C)C2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide?
The InChIKey is IPNQYJFLJUJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-4-18-14-8-12(13(17)10-19-14)15(21)20-11-6-5-7-16(2,3)9-11/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide?
5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114924211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).