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

C15H19N3O — CID 103082181

IUPAC2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCOC1CCC(Nc2nc3c(cc2C#N)CCC3)C1
InChIInChI=1S/C15H19N3O/c1-19-13-6-5-12(8-13)17-15-11(9-16)7-10-3-2-4-14(10)18-15/h7,12-13H,2-6,8H2,1H3,(H,17,18)
InChIKeyJDYVHTIRWCGQGS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.42
Rot. Bonds3

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

2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 103082181) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID103082181
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCOC1CCC(Nc2nc3c(cc2C#N)CCC3)C1
InChIInChI=1S/C15H19N3O/c1-19-13-6-5-12(8-13)17-15-11(9-16)7-10-3-2-4-14(10)18-15/h7,12-13H,2-6,8H2,1H3,(H,17,18)
InChIKeyJDYVHTIRWCGQGS-UHFFFAOYSA-N
XLogP2.42
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((3-Methoxypropyl)amino)-6,7-dihydro-5h-cyclopenta[b]pyridine-3-carbonitrile
CID 60980456
methyl (3S)-3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]pyrrolidine-1-carboxylate
CID 96104890
5,6-dimethyl-2-[2-[(3R)-oxan-3-yl]ethylamino]pyridine-3-carbonitrile
CID 125436459
2-[[(1R,5S,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-6-propan-2-ylpyridine-3-carbonitrile
CID 164634665
2-[2-(2,2,2-trifluoroethoxy)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60968938
2-[1-(2-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60970464
2-[1-(3-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60970912
2-[1-(4-fluorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980613
2-(3,3,3-trifluoropropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63226981
2-(4,4,4-trifluorobutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 79040241
2-(2,2-difluoroethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 79099070
2-[2-(2,2-difluoroethoxy)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103081737

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 103082181) is 2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is COC1CCC(Nc2nc3c(cc2C#N)CCC3)C1.
What is the InChIKey of 2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is JDYVHTIRWCGQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-19-13-6-5-12(8-13)17-15-11(9-16)7-10-3-2-4-14(10)18-15/h7,12-13H,2-6,8H2,1H3,(H,17,18).
What are the key properties of 2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 103082181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).