2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H19N3O — CID 55082442

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NC1(CO)CCCC1)CCC2
InChIInChI=1S/C15H19N3O/c16-9-12-8-11-4-3-5-13(11)17-14(12)18-15(10-19)6-1-2-7-15/h8,19H,1-7,10H2,(H,17,18)
InChIKeyXRLLURBDNPXXKT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.16
Rot. Bonds3

About 2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 55082442) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID55082442
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1NC1(CO)CCCC1)CCC2
InChIInChI=1S/C15H19N3O/c16-9-12-8-11-4-3-5-13(11)17-14(12)18-15(10-19)6-1-2-7-15/h8,19H,1-7,10H2,(H,17,18)
InChIKeyXRLLURBDNPXXKT-UHFFFAOYSA-N
XLogP2.16
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 81164240
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid
CID 115585626
1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450488
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 79250073
2-(4-hydroxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106842232
3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid
CID 64699609
2-[(4-methyloxan-4-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103742965
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103990479
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 106171457

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 55082442) is 2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1NC1(CO)CCCC1)CCC2.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is XRLLURBDNPXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-12-8-11-4-3-5-13(11)17-14(12)18-15(10-19)6-1-2-7-15/h8,19H,1-7,10H2,(H,17,18).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 55082442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).