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

C13H17N3O — CID 133496410

IUPAC2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CCCC1CCO
InChIInChI=1S/C13H17N3O/c14-9-11-4-2-7-15-13(11)16-12-5-1-3-10(12)6-8-17/h2,4,7,10,12,17H,1,3,5-6,8H2,(H,15,16)
InChIKeyJKBOUGHYTUOMOS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds4

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

2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile (PubChem CID 133496410) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile
PubChem CID133496410
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CCCC1CCO
InChIInChI=1S/C13H17N3O/c14-9-11-4-2-7-15-13(11)16-12-5-1-3-10(12)6-8-17/h2,4,7,10,12,17H,1,3,5-6,8H2,(H,15,16)
InChIKeyJKBOUGHYTUOMOS-UHFFFAOYSA-N
XLogP1.92
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile
CID 103703733
2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile
CID 131182956
2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol
CID 133496220
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]ethanol
CID 133496229
2-[[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]amino]pyridine-3-carbonitrile
CID 100900398
[2-[(3-methoxy-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362135
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
2-[[(3R,4S)-4-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 72889329
N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine
CID 106365501

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile (CID 133496410) is 2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1NC1CCCC1CCO.
What is the InChIKey of 2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile?
The InChIKey is JKBOUGHYTUOMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-9-11-4-2-7-15-13(11)16-12-5-1-3-10(12)6-8-17/h2,4,7,10,12,17H,1,3,5-6,8H2,(H,15,16).
What are the key properties of 2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile?
2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133496410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).