3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile

C14H19N3O — CID 62895827

IUPAC3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN(CCO)C1CCCC1
InChIInChI=1S/C14H19N3O/c15-10-14-12(4-3-7-16-14)11-17(8-9-18)13-5-1-2-6-13/h3-4,7,13,18H,1-2,5-6,8-9,11H2
InChIKeyYUEWZEFVIACELH-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.69
Rot. Bonds5

About 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile

3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 62895827) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID62895827
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN(CCO)C1CCCC1
InChIInChI=1S/C14H19N3O/c15-10-14-12(4-3-7-16-14)11-17(8-9-18)13-5-1-2-6-13/h3-4,7,13,18H,1-2,5-6,8-9,11H2
InChIKeyYUEWZEFVIACELH-UHFFFAOYSA-N
XLogP1.69
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62894133
2-[cyclopentyl(quinolin-8-ylmethyl)amino]ethanol
CID 60912446
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbothioamide
CID 62893452
3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile
CID 62919578
2-[cyclopropyl(quinolin-8-ylmethyl)amino]ethanol
CID 60510570
4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 63881430
2-[cyclobutyl-[[2-(propylamino)-3-pyridinyl]methyl]amino]ethanol
CID 102870532
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102870514
2-[cyclobutyl-[(6-fluoroquinolin-8-yl)methyl]amino]ethanol
CID 102677075
2-[cyclobutyl(quinolin-4-ylmethyl)amino]ethanol
CID 102679767
3-[cyclobutyl(quinolin-8-ylmethyl)amino]propan-1-ol
CID 102848366
2-[cyclopentyl(quinolin-6-ylmethyl)amino]ethanol
CID 62015236

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile (CID 62895827) is 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CN(CCO)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is YUEWZEFVIACELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-10-14-12(4-3-7-16-14)11-17(8-9-18)13-5-1-2-6-13/h3-4,7,13,18H,1-2,5-6,8-9,11H2.
What are the key properties of 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile?
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).