2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H13N3 — CID 668109

IUPAC2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1)CCC2
InChIInChI=1S/C15H13N3/c16-9-12-14(10-5-2-1-3-6-10)11-7-4-8-13(11)18-15(12)17/h1-3,5-6H,4,7-8H2,(H2,17,18)
InChIKeyYLTPUFCLFDASLC-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.69
Rot. Bonds1

About 2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 668109) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID668109
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1)CCC2
InChIInChI=1S/C15H13N3/c16-9-12-14(10-5-2-1-3-6-10)11-7-4-8-13(11)18-15(12)17/h1-3,5-6H,4,7-8H2,(H2,17,18)
InChIKeyYLTPUFCLFDASLC-UHFFFAOYSA-N
XLogP2.69
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 668109) is 2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccccc1)CCC2.
What is the InChIKey of 2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is YLTPUFCLFDASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-9-12-14(10-5-2-1-3-6-10)11-7-4-8-13(11)18-15(12)17/h1-3,5-6H,4,7-8H2,(H2,17,18).
What are the key properties of 2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 668109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).