2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H21N3O — CID 106171457

IUPAC2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCC(C)(CCO)Nc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H21N3O/c1-3-15(2,7-8-19)18-14-12(10-16)9-11-5-4-6-13(11)17-14/h9,19H,3-8H2,1-2H3,(H,17,18)
InChIKeyKDDFRSCEDJROIF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.40
Rot. Bonds5

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

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 106171457) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID106171457
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCCC(C)(CCO)Nc1nc2c(cc1C#N)CCC2
InChIInChI=1S/C15H21N3O/c1-3-15(2,7-8-19)18-14-12(10-16)9-11-5-4-6-13(11)17-14/h9,19H,3-8H2,1-2H3,(H,17,18)
InChIKeyKDDFRSCEDJROIF-UHFFFAOYSA-N
XLogP2.40
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile with MolForge

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Related Compounds

2-(3-ethylpentan-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 65043382
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid
CID 64699609
2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106185583
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-(4-hydroxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106842232
2-(2-hydroxypentylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115622839
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 79250073
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103768343
2-(2-aminobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63731206
2-[3-(2-hydroxyethoxy)propylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103990479

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 106171457) is 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CCC(C)(CCO)Nc1nc2c(cc1C#N)CCC2.
What is the InChIKey of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is KDDFRSCEDJROIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-15(2,7-8-19)18-14-12(10-16)9-11-5-4-6-13(11)17-14/h9,19H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylpentan-3-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 106171457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).