2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide

C12H11Cl2N3O — CID 106993787

IUPAC2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide
SMILESN#CC1CCCC1NC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H11Cl2N3O/c13-10-5-4-8(11(14)17-10)12(18)16-9-3-1-2-7(9)6-15/h4-5,7,9H,1-3H2,(H,16,18)
InChIKeyFYEVAZNLXQKNDL-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.81
Rot. Bonds2

About 2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide

2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide (PubChem CID 106993787) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide
PubChem CID106993787
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide
SMILESN#CC1CCCC1NC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C12H11Cl2N3O/c13-10-5-4-8(11(14)17-10)12(18)16-9-3-1-2-7(9)6-15/h4-5,7,9H,1-3H2,(H,16,18)
InChIKeyFYEVAZNLXQKNDL-UHFFFAOYSA-N
XLogP2.81
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.81
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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Related Compounds

6-chloro-N-(2-cyanocyclopentyl)pyridine-2-carboxamide
CID 62961274
2,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 55152720
5-chloro-N-(2-cyanocyclopentyl)-2-hydroxybenzamide
CID 62961255
3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
5-chloro-N-(2-cyanocyclopentyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619442
4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
CID 103876619
2,6-dichloro-N-[3-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 112752696
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
N-(2-cyanocyclopentyl)-2-ethylfuran-3-carboxamide
CID 114103038
N-(2-cyanocyclopentyl)-1H-indole-4-carboxamide
CID 55153670
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
CID 81002663
3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
CID 103908948

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide (CID 106993787) is 2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide is N#CC1CCCC1NC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide?
The InChIKey is FYEVAZNLXQKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c13-10-5-4-8(11(14)17-10)12(18)16-9-3-1-2-7(9)6-15/h4-5,7,9H,1-3H2,(H,16,18).
What are the key properties of 2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide?
2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-cyanocyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 106993787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).