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

C12H15N3O — CID 103703733

IUPAC2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CCCC1CO
InChIInChI=1S/C12H15N3O/c13-7-9-4-2-6-14-12(9)15-11-5-1-3-10(11)8-16/h2,4,6,10-11,16H,1,3,5,8H2,(H,14,15)
InChIKeyPYKOZPPAJLWNMY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.53
Rot. Bonds3

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

2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile (PubChem CID 103703733) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile
PubChem CID103703733
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CCCC1CO
InChIInChI=1S/C12H15N3O/c13-7-9-4-2-6-14-12(9)15-11-5-1-3-10(11)8-16/h2,4,6,10-11,16H,1,3,5,8H2,(H,14,15)
InChIKeyPYKOZPPAJLWNMY-UHFFFAOYSA-N
XLogP1.53
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-hydroxyethyl)cyclopentyl]amino]pyridine-3-carbonitrile
CID 133496410
2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]pyridine-3-carbonitrile
CID 131182956
[2-[(3-methoxy-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362135
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
2-[[(3aS,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]amino]pyridine-3-carbonitrile
CID 100900398
[2-(pyridin-2-ylamino)cyclohexyl]methanol
CID 106362177
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]pyridazine-4-carbonitrile
CID 80509988
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
2-[2-[(3-nitro-2-pyridinyl)amino]cyclopentyl]ethanol
CID 133496220
3-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazin-2-one
CID 103703713
2-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]pyridine-3-carbonitrile
CID 10444838

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile (CID 103703733) is 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1NC1CCCC1CO.
What is the InChIKey of 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile?
The InChIKey is PYKOZPPAJLWNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-7-9-4-2-6-14-12(9)15-11-5-1-3-10(11)8-16/h2,4,6,10-11,16H,1,3,5,8H2,(H,14,15).
What are the key properties of 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile?
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103703733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).