N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide

C12H12ClN3O — CID 106443960

IUPACN-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NC2CCCC2Cl)nc1
InChIInChI=1S/C12H12ClN3O/c13-9-2-1-3-10(9)16-12(17)11-5-4-8(6-14)7-15-11/h4-5,7,9-10H,1-3H2,(H,16,17)
InChIKeyHTFJLEQSMQXSOM-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.84
Rot. Bonds2

About N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide

N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide (PubChem CID 106443960) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
PubChem CID106443960
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC NameN-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NC2CCCC2Cl)nc1
InChIInChI=1S/C12H12ClN3O/c13-9-2-1-3-10(9)16-12(17)11-5-4-8(6-14)7-15-11/h4-5,7,9-10H,1-3H2,(H,16,17)
InChIKeyHTFJLEQSMQXSOM-UHFFFAOYSA-N
XLogP1.84
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide (CID 106443960) is N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)NC2CCCC2Cl)nc1.
What is the InChIKey of N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide?
The InChIKey is HTFJLEQSMQXSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-9-2-1-3-10(9)16-12(17)11-5-4-8(6-14)7-15-11/h4-5,7,9-10H,1-3H2,(H,16,17).
What are the key properties of N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide?
N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 106443960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).