3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide

C12H15BrN2O — CID 107518791

IUPAC3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ncccc2Br)CCCC1
InChIInChI=1S/C12H15BrN2O/c1-12(6-2-3-7-12)15-11(16)10-9(13)5-4-8-14-10/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyJCLZFAUVGVTCLE-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.91
Rot. Bonds2

About 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide

3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide (PubChem CID 107518791) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide
PubChem CID107518791
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2ncccc2Br)CCCC1
InChIInChI=1S/C12H15BrN2O/c1-12(6-2-3-7-12)15-11(16)10-9(13)5-4-8-14-10/h4-5,8H,2-3,6-7H2,1H3,(H,15,16)
InChIKeyJCLZFAUVGVTCLE-UHFFFAOYSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide (CID 107518791) is 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide is CC1(NC(=O)c2ncccc2Br)CCCC1.
What is the InChIKey of 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide?
The InChIKey is JCLZFAUVGVTCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-12(6-2-3-7-12)15-11(16)10-9(13)5-4-8-14-10/h4-5,8H,2-3,6-7H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide?
3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-methylcyclopentyl)pyridine-2-carboxamide is sourced from PubChem (CID 107518791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).