2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide

C14H19ClN2O2 — CID 110027707

IUPAC2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2CCCC2O)c(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-8-6-9(2)17-13(15)12(8)14(19)16-7-10-4-3-5-11(10)18/h6,10-11,18H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyIMSGUXZLDQZJPU-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide

2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide (PubChem CID 110027707) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide
PubChem CID110027707
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC2CCCC2O)c(Cl)n1
InChIInChI=1S/C14H19ClN2O2/c1-8-6-9(2)17-13(15)12(8)14(19)16-7-10-4-3-5-11(10)18/h6,10-11,18H,3-5,7H2,1-2H3,(H,16,19)
InChIKeyIMSGUXZLDQZJPU-UHFFFAOYSA-N
XLogP2.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-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 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide (CID 110027707) is 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC2CCCC2O)c(Cl)n1.
What is the InChIKey of 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is IMSGUXZLDQZJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-8-6-9(2)17-13(15)12(8)14(19)16-7-10-4-3-5-11(10)18/h6,10-11,18H,3-5,7H2,1-2H3,(H,16,19).
What are the key properties of 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide?
2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-hydroxycyclopentyl)methyl]-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 110027707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).