2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide

C15H22ClN3O — CID 63657981

IUPAC2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CC2CCCC2)cc(Cl)n1
InChIInChI=1S/C15H22ClN3O/c1-3-17-14-9-12(8-13(16)18-14)15(20)19(2)10-11-6-4-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyBPCHOVOPHQVPEQ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.43
Rot. Bonds5

About 2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide

2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide (PubChem CID 63657981) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
PubChem CID63657981
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)CC2CCCC2)cc(Cl)n1
InChIInChI=1S/C15H22ClN3O/c1-3-17-14-9-12(8-13(16)18-14)15(20)19(2)10-11-6-4-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyBPCHOVOPHQVPEQ-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
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-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62855903
2-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 63274888
2-chloro-6-(ethylamino)-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 62173680
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890
2-chloro-6-(ethylamino)-N-methyl-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179292
2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
CID 62169478
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 63499362
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62179610
2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 64517367
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
[2-chloro-6-(ethylamino)-4-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66369750

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide (CID 63657981) is 2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide is CCNc1cc(C(=O)N(C)CC2CCCC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The InChIKey is BPCHOVOPHQVPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-17-14-9-12(8-13(16)18-14)15(20)19(2)10-11-6-4-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide?
2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 63657981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).