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

C14H19N3O — CID 63881430

IUPAC4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN(CCO)C2CCCC2)ccn1
InChIInChI=1S/C14H19N3O/c15-10-13-9-12(5-6-16-13)11-17(7-8-18)14-3-1-2-4-14/h5-6,9,14,18H,1-4,7-8,11H2
InChIKeyDQJZITCQBFASSA-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.69
Rot. Bonds5

About 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile

4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63881430) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63881430
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN(CCO)C2CCCC2)ccn1
InChIInChI=1S/C14H19N3O/c15-10-13-9-12(5-6-16-13)11-17(7-8-18)14-3-1-2-4-14/h5-6,9,14,18H,1-4,7-8,11H2
InChIKeyDQJZITCQBFASSA-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

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile (CID 63881430) is 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile is N#Cc1cc(CN(CCO)C2CCCC2)ccn1.
What is the InChIKey of 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is DQJZITCQBFASSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-10-13-9-12(5-6-16-13)11-17(7-8-18)14-3-1-2-4-14/h5-6,9,14,18H,1-4,7-8,11H2.
What are the key properties of 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile?
4-[[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 4-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63881430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).