5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide

C13H16Cl2N2O — CID 107412465

IUPAC5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide
SMILESCC1CCC(CNC(=O)c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c1-8-2-3-9(4-8)6-17-13(18)10-5-11(14)12(15)16-7-10/h5,7-9H,2-4,6H2,1H3,(H,17,18)
InChIKeyKIMUBWQWIMVVMK-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.55
Rot. Bonds3

About 5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide

5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide (PubChem CID 107412465) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide
PubChem CID107412465
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide
SMILESCC1CCC(CNC(=O)c2cnc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c1-8-2-3-9(4-8)6-17-13(18)10-5-11(14)12(15)16-7-10/h5,7-9H,2-4,6H2,1H3,(H,17,18)
InChIKeyKIMUBWQWIMVVMK-UHFFFAOYSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.55
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-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide (CID 107412465) is 5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide is CC1CCC(CNC(=O)c2cnc(Cl)c(Cl)c2)C1.
What is the InChIKey of 5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide?
The InChIKey is KIMUBWQWIMVVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8-2-3-9(4-8)6-17-13(18)10-5-11(14)12(15)16-7-10/h5,7-9H,2-4,6H2,1H3,(H,17,18).
What are the key properties of 5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 107412465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).