2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid

C24H24N2O2 — CID 158494780

IUPAC2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CCC2CCc3c(CCc4ccccc4)ccnc32)c1
InChIInChI=1S/C24H24N2O2/c27-24(28)20-13-14-25-21(16-20)10-8-19-9-11-22-18(12-15-26-23(19)22)7-6-17-4-2-1-3-5-17/h1-5,12-16,19H,6-11H2,(H,27,28)
InChIKeyHJDJIKANARFIFA-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.62
Rot. Bonds7

About 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid

2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 158494780) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid
PubChem CID158494780
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CCC2CCc3c(CCc4ccccc4)ccnc32)c1
InChIInChI=1S/C24H24N2O2/c27-24(28)20-13-14-25-21(16-20)10-8-19-9-11-22-18(12-15-26-23(19)22)7-6-17-4-2-1-3-5-17/h1-5,12-16,19H,6-11H2,(H,27,28)
InChIKeyHJDJIKANARFIFA-UHFFFAOYSA-N
XLogP4.62
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

2-[[[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]amino]methyl]pyridine-4-carboxylic acid
CID 118420967
2-[3-[(3S)-1-ethyl-2-oxopyrrolidin-3-yl]propyl]pyridine-4-carboxylic acid
CID 160943438
2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid
CID 90991624
2-[[2-(1-benzylpyrrolidin-2-yl)ethylamino]methyl]pyridine-4-carboxylic acid
CID 90093151
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265746
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid
CID 114324425
2-[[4-[benzyl(cyclopropyl)amino]butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyridine-4-carboxylic acid
CID 90374973
6-(2-phenylethyl)pyridine-3-carboxylic acid
CID 150942335
2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 122629206
2-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-4-carboxylic acid
CID 114324415

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid (CID 158494780) is 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CCC2CCc3c(CCc4ccccc4)ccnc32)c1.
What is the InChIKey of 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid?
The InChIKey is HJDJIKANARFIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-24(28)20-13-14-25-21(16-20)10-8-19-9-11-22-18(12-15-26-23(19)22)7-6-17-4-2-1-3-5-17/h1-5,12-16,19H,6-11H2,(H,27,28).
What are the key properties of 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid?
2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158494780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).