5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide

C12H14Cl2N2O — CID 61367940

IUPAC5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2cnc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C12H14Cl2N2O/c1-12(4-2-3-5-12)16-11(17)8-6-9(13)10(14)15-7-8/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyZJCHQCZSTWVHJX-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.45
Rot. Bonds2

About 5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide

5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide (PubChem CID 61367940) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
PubChem CID61367940
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2cnc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C12H14Cl2N2O/c1-12(4-2-3-5-12)16-11(17)8-6-9(13)10(14)15-7-8/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyZJCHQCZSTWVHJX-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide (CID 61367940) is 5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide is CC1(NC(=O)c2cnc(Cl)c(Cl)c2)CCCC1.
What is the InChIKey of 5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
The InChIKey is ZJCHQCZSTWVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-12(4-2-3-5-12)16-11(17)8-6-9(13)10(14)15-7-8/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide?
5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(1-methylcyclopentyl)pyridine-3-carboxamide is sourced from PubChem (CID 61367940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).