2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide

C15H22ClN3O — CID 79872955

IUPAC2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC2CCCC2(C)C)cc(Cl)n1
InChIInChI=1S/C15H22ClN3O/c1-4-17-13-9-10(8-12(16)19-13)14(20)18-11-6-5-7-15(11,2)3/h8-9,11H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyOAUGACMWAHYHTA-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.48
Rot. Bonds4

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

2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide (PubChem CID 79872955) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide
PubChem CID79872955
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC2CCCC2(C)C)cc(Cl)n1
InChIInChI=1S/C15H22ClN3O/c1-4-17-13-9-10(8-12(16)19-13)14(20)18-11-6-5-7-15(11,2)3/h8-9,11H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyOAUGACMWAHYHTA-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.48
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-(1-methylcyclohexyl)pyridine-4-carboxamide
CID 62175112
2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 63499362
2-chloro-6-(ethylamino)-N-(2-ethylcyclopropyl)pyridine-4-carboxamide
CID 114109652
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 79878433
3-chloro-N-(2,2-dimethylcyclopentyl)-4-hydroxybenzamide
CID 79840670
2-chloro-6-(ethylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 80586203
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890
2-chloro-6-(ethylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-4-carboxamide
CID 113464140
2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62855903
2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 63657981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide (CID 79872955) is 2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)NC2CCCC2(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide?
The InChIKey is OAUGACMWAHYHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-4-17-13-9-10(8-12(16)19-13)14(20)18-11-6-5-7-15(11,2)3/h8-9,11H,4-7H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide?
2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-dimethylcyclopentyl)-6-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 79872955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).