N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide

C13H17ClN2O2 — CID 106365913

IUPACN-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CCCC2CCl)cc1=O
InChIInChI=1S/C13H17ClN2O2/c1-16-6-5-9(7-12(16)17)13(18)15-11-4-2-3-10(11)8-14/h5-7,10-11H,2-4,8H2,1H3,(H,15,18)
InChIKeyKNVVGTNDBUGBRZ-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.52
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 106365913) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID106365913
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CCCC2CCl)cc1=O
InChIInChI=1S/C13H17ClN2O2/c1-16-6-5-9(7-12(16)17)13(18)15-11-4-2-3-10(11)8-14/h5-7,10-11H,2-4,8H2,1H3,(H,15,18)
InChIKeyKNVVGTNDBUGBRZ-UHFFFAOYSA-N
XLogP1.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclooctyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103610769
1-methyl-2-oxo-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 103713550
N-(2-cyclopentyloxycyclohexyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 75434259
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179364
N-[2-(chloromethyl)cyclopentyl]-1-methylpyrazole-4-carboxamide
CID 106366042
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114179381
N-[2-(chloromethyl)cyclopentyl]-4-methyl-3-nitrobenzamide
CID 106365876
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
CID 106365883

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 106365913) is N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC2CCCC2CCl)cc1=O.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is KNVVGTNDBUGBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16-6-5-9(7-12(16)17)13(18)15-11-4-2-3-10(11)8-14/h5-7,10-11H,2-4,8H2,1H3,(H,15,18).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 106365913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).