6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide

C12H16ClN3O — CID 114540527

IUPAC6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2nc(N)ccc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-7-2-3-8(6-7)15-12(17)11-9(13)4-5-10(14)16-11/h4-5,7-8H,2-3,6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyBGKIEDOKPPHZRJ-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.24
Rot. Bonds2

About 6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide

6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide (PubChem CID 114540527) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide
PubChem CID114540527
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide
SMILESCC1CCC(NC(=O)c2nc(N)ccc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-7-2-3-8(6-7)15-12(17)11-9(13)4-5-10(14)16-11/h4-5,7-8H,2-3,6H2,1H3,(H2,14,16)(H,15,17)
InChIKeyBGKIEDOKPPHZRJ-UHFFFAOYSA-N
XLogP2.24
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-amino-3-chloro-N-(3-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 6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide (CID 114540527) is 6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide is CC1CCC(NC(=O)c2nc(N)ccc2Cl)C1.
What is the InChIKey of 6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
The InChIKey is BGKIEDOKPPHZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-7-2-3-8(6-7)15-12(17)11-9(13)4-5-10(14)16-11/h4-5,7-8H,2-3,6H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide?
6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-(3-methylcyclopentyl)pyridine-2-carboxamide is sourced from PubChem (CID 114540527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).