6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide

C12H12ClN3O — CID 62961274

IUPAC6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide
SMILESN#CC1CCCC1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H12ClN3O/c13-11-6-2-5-10(15-11)12(17)16-9-4-1-3-8(9)7-14/h2,5-6,8-9H,1,3-4H2,(H,16,17)
InChIKeyQIDKTPCPDFUOAE-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.16
Rot. Bonds2

About 6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide

6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide (PubChem CID 62961274) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide
PubChem CID62961274
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide
SMILESN#CC1CCCC1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C12H12ClN3O/c13-11-6-2-5-10(15-11)12(17)16-9-4-1-3-8(9)7-14/h2,5-6,8-9H,1,3-4H2,(H,16,17)
InChIKeyQIDKTPCPDFUOAE-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide (CID 62961274) is 6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide is N#CC1CCCC1NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide?
The InChIKey is QIDKTPCPDFUOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-6-2-5-10(15-11)12(17)16-9-4-1-3-8(9)7-14/h2,5-6,8-9H,1,3-4H2,(H,16,17).
What are the key properties of 6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide?
6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide is sourced from PubChem (CID 62961274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).