5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide

C12H14Cl2N2O — CID 114303054

IUPAC5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCCC1Cl)c1ccc(Cl)cn1
InChIInChI=1S/C12H14Cl2N2O/c13-9-4-5-11(15-7-9)12(17)16-6-8-2-1-3-10(8)14/h4-5,7-8,10H,1-3,6H2,(H,16,17)
InChIKeyMDESLUBQJHZRAA-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.87
Rot. Bonds3

About 5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide

5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide (PubChem CID 114303054) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide
PubChem CID114303054
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCCC1Cl)c1ccc(Cl)cn1
InChIInChI=1S/C12H14Cl2N2O/c13-9-4-5-11(15-7-9)12(17)16-6-8-2-1-3-10(8)14/h4-5,7-8,10H,1-3,6H2,(H,16,17)
InChIKeyMDESLUBQJHZRAA-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632
N-(2-bromo-2-cyclopropylethyl)-5-chloropyridine-2-carboxamide
CID 114315736
N-[(2-chlorocyclopentyl)methyl]thiophene-2-carboxamide
CID 114302998
5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107418817
N-[(2-chlorocyclohexyl)methyl]pyrimidine-5-carboxamide
CID 102922761
N-[[2-(chloromethyl)cyclohexyl]methyl]-5-fluoropyridine-2-carboxamide
CID 104643161
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 114303022
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
CID 114303164
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide (CID 114303054) is 5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide is O=C(NCC1CCCC1Cl)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide?
The InChIKey is MDESLUBQJHZRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-4-5-11(15-7-9)12(17)16-6-8-2-1-3-10(8)14/h4-5,7-8,10H,1-3,6H2,(H,16,17).
What are the key properties of 5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide?
5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chlorocyclopentyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 114303054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).