2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide

C15H22ClN3O — CID 62169890

IUPAC2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(CC)C2CCCC2)cc(Cl)n1
InChIInChI=1S/C15H22ClN3O/c1-3-17-14-10-11(9-13(16)18-14)15(20)19(4-2)12-7-5-6-8-12/h9-10,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyXOWFGXMYUIMSIF-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.57
Rot. Bonds5

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

2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide (PubChem CID 62169890) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
PubChem CID62169890
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(CC)C2CCCC2)cc(Cl)n1
InChIInChI=1S/C15H22ClN3O/c1-3-17-14-10-11(9-13(16)18-14)15(20)19(4-2)12-7-5-6-8-12/h9-10,12H,3-8H2,1-2H3,(H,17,18)
InChIKeyXOWFGXMYUIMSIF-UHFFFAOYSA-N
XLogP3.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
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-N-cyclohexyl-N-ethyl-6-hydrazinylpyridine-4-carboxamide
CID 62248666
2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide
CID 62168778
2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
CID 62169478
2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 63657981
2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62855903
2-chloro-6-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179292
2-chloro-6-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 62173680
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
N-cyclopentyl-N-ethyl-4-(ethylamino)-3,5-difluorobenzamide
CID 63185045
2-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 63274888
2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide
CID 62175435
2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 102870600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide (CID 62169890) is 2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)N(CC)C2CCCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide?
The InChIKey is XOWFGXMYUIMSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-17-14-10-11(9-13(16)18-14)15(20)19(4-2)12-7-5-6-8-12/h9-10,12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide?
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62169890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).