5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile

C14H18ClN3O2 — CID 146143439

IUPAC5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(NOC(CO)C2CCCC2)c(Cl)cc1C#N
InChIInChI=1S/C14H18ClN3O2/c1-9-11(7-16)6-12(15)14(17-9)18-20-13(8-19)10-4-2-3-5-10/h6,10,13,19H,2-5,8H2,1H3,(H,17,18)
InChIKeyOIEMVEFPAIRZJB-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.81
Rot. Bonds5

About 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile

5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile (PubChem CID 146143439) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile
PubChem CID146143439
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(NOC(CO)C2CCCC2)c(Cl)cc1C#N
InChIInChI=1S/C14H18ClN3O2/c1-9-11(7-16)6-12(15)14(17-9)18-20-13(8-19)10-4-2-3-5-10/h6,10,13,19H,2-5,8H2,1H3,(H,17,18)
InChIKeyOIEMVEFPAIRZJB-UHFFFAOYSA-N
XLogP2.81
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile 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 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile (CID 146143439) is 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile is Cc1nc(NOC(CO)C2CCCC2)c(Cl)cc1C#N.
What is the InChIKey of 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile?
The InChIKey is OIEMVEFPAIRZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-9-11(7-16)6-12(15)14(17-9)18-20-13(8-19)10-4-2-3-5-10/h6,10,13,19H,2-5,8H2,1H3,(H,17,18).
What are the key properties of 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile?
5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile has a molecular weight of 295.77 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-cyclopentyl-2-hydroxyethoxy)amino]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 146143439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).