N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide

C13H17ClN2O — CID 107301087

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide
SMILESCc1nc(Cl)ccc1NC(=O)C1CCCC1C
InChIInChI=1S/C13H17ClN2O/c1-8-4-3-5-10(8)13(17)16-11-6-7-12(14)15-9(11)2/h6-8,10H,3-5H2,1-2H3,(H,16,17)
InChIKeyREKQLYQEVQTCOJ-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.42
Rot. Bonds2

About N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide

N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107301087) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide
PubChem CID107301087
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide
SMILESCc1nc(Cl)ccc1NC(=O)C1CCCC1C
InChIInChI=1S/C13H17ClN2O/c1-8-4-3-5-10(8)13(17)16-11-6-7-12(14)15-9(11)2/h6-8,10H,3-5H2,1-2H3,(H,16,17)
InChIKeyREKQLYQEVQTCOJ-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloropyrazin-2-yl)-2-methylcyclopentane-1-carboxamide
CID 104938117
N-(2-bromo-3-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 103578301
N-[2-(1-chloroethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107184100
N-(2-chloro-4-sulfamoylphenyl)-2-methylcyclopentane-1-carboxamide
CID 107180012
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide
CID 114053517
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
N-(5-carbamothioyl-2-chlorophenyl)-2-methylcyclopentane-1-carboxamide
CID 107178798
N-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 107301314
N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 107301072
N-(6-bromo-2-methyl-3-pyridinyl)cyclohexanecarboxamide
CID 103909516
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
CID 107301045
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 107181329

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide (CID 107301087) is N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide is Cc1nc(Cl)ccc1NC(=O)C1CCCC1C.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is REKQLYQEVQTCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8-4-3-5-10(8)13(17)16-11-6-7-12(14)15-9(11)2/h6-8,10H,3-5H2,1-2H3,(H,16,17).
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide?
N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107301087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).