5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide

C15H20Cl2N2O — CID 112725804

IUPAC5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CN(C(=O)c1cnc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-3-4-6-12)15(20)11-7-13(16)14(17)18-8-11/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyHEMRUUKHLSKOFD-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.43
Rot. Bonds4

About 5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide

5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide (PubChem CID 112725804) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide
PubChem CID112725804
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide
SMILESCC(C)CN(C(=O)c1cnc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-3-4-6-12)15(20)11-7-13(16)14(17)18-8-11/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyHEMRUUKHLSKOFD-UHFFFAOYSA-N
XLogP4.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.43
H-Bond Donors ≤ 50
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-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide (CID 112725804) is 5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide is CC(C)CN(C(=O)c1cnc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of 5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide?
The InChIKey is HEMRUUKHLSKOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10(2)9-19(12-5-3-4-6-12)15(20)11-7-13(16)14(17)18-8-11/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide?
5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-cyclopentyl-N-(2-methylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 112725804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).