2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C18H19N3 — CID 60968845

IUPAC2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1ccc(C(C)Nc2nc3c(cc2C#N)CCC3)cc1
InChIInChI=1S/C18H19N3/c1-12-6-8-14(9-7-12)13(2)20-18-16(11-19)10-15-4-3-5-17(15)21-18/h6-10,13H,3-5H2,1-2H3,(H,20,21)
InChIKeyUXISBAHMFILIQZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.92
Rot. Bonds3

About 2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 60968845) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID60968845
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCc1ccc(C(C)Nc2nc3c(cc2C#N)CCC3)cc1
InChIInChI=1S/C18H19N3/c1-12-6-8-14(9-7-12)13(2)20-18-16(11-19)10-15-4-3-5-17(15)21-18/h6-10,13H,3-5H2,1-2H3,(H,20,21)
InChIKeyUXISBAHMFILIQZ-UHFFFAOYSA-N
XLogP3.92
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60981704
2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 106282983
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 79250073
2-[(1-amino-4-methylpentan-2-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63889340
2-[(3-methyl-2-propan-2-ylbutyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 102906136
5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid
CID 82845367
2-(hex-1-yn-3-ylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106230839
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-(4-chloroanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 54944869
2-(2,5-difluoro-4-methylanilino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103586116
2-(3-bromo-5-methylanilino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 107583634
2-(2,4-dimethylphenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63538755

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 60968845) is 2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is Cc1ccc(C(C)Nc2nc3c(cc2C#N)CCC3)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is UXISBAHMFILIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-6-8-14(9-7-12)13(2)20-18-16(11-19)10-15-4-3-5-17(15)21-18/h6-10,13H,3-5H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 277.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)ethylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 60968845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).