N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide

C13H16BrClN2O — CID 112750068

IUPACN-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1cc(Cl)cnc1Br
InChIInChI=1S/C13H16BrClN2O/c1-13(2)5-3-4-9(13)12(18)17-10-6-8(15)7-16-11(10)14/h6-7,9H,3-5H2,1-2H3,(H,17,18)
InChIKeyLCDXQPQIQUCXCC-UHFFFAOYSA-N
MW331.64 g/mol
LogP4.26
Rot. Bonds2

About N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 112750068) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID112750068
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC NameN-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC1(C)CCCC1C(=O)Nc1cc(Cl)cnc1Br
InChIInChI=1S/C13H16BrClN2O/c1-13(2)5-3-4-9(13)12(18)17-10-6-8(15)7-16-11(10)14/h6-7,9H,3-5H2,1-2H3,(H,17,18)
InChIKeyLCDXQPQIQUCXCC-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-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 N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 112750068) is N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide is CC1(C)CCCC1C(=O)Nc1cc(Cl)cnc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is LCDXQPQIQUCXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-13(2)5-3-4-9(13)12(18)17-10-6-8(15)7-16-11(10)14/h6-7,9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 331.64 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-3-pyridinyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 112750068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).