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

C15H14N2O2 — CID 82381467

IUPAC3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESNc1c(-c2ccccc2)nc2c(c1C(=O)O)CCC2
InChIInChI=1S/C15H14N2O2/c16-13-12(15(18)19)10-7-4-8-11(10)17-14(13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,16H2,(H,18,19)
InChIKeyILHPSOGMYJFFSZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.52
Rot. Bonds2

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

3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid (PubChem CID 82381467) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
PubChem CID82381467
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
SMILESNc1c(-c2ccccc2)nc2c(c1C(=O)O)CCC2
InChIInChI=1S/C15H14N2O2/c16-13-12(15(18)19)10-7-4-8-11(10)17-14(13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,16H2,(H,18,19)
InChIKeyILHPSOGMYJFFSZ-UHFFFAOYSA-N
XLogP2.52
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
CID 146618854
2,3-diamino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
CID 82392376
3-amino-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 82395461
1,2,3,4-tetrahydroacridine-9-carboxylic acid;hydrate
CID 16667447
2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 6426041
4-(2-methyl-4-pyridinyl)-2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxylic acid
CID 90042400
2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;2-hydroxybenzoic acid
CID 6611504
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 14385689
8-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 61357942
3-amino-2-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-4-carboxylic acid
CID 82624226
[2-oxo-2-(4-phenylphenyl)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 2282653
7-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid
CID 865221

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid (CID 82381467) is 3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid is Nc1c(-c2ccccc2)nc2c(c1C(=O)O)CCC2.
What is the InChIKey of 3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid?
The InChIKey is ILHPSOGMYJFFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-13-12(15(18)19)10-7-4-8-11(10)17-14(13)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,16H2,(H,18,19).
What are the key properties of 3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid?
3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxylic acid is sourced from PubChem (CID 82381467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).