2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one

C18H20N2O — CID 116598728

IUPAC2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)C1CCc2cccnc21)c1ccc(N)cc1
InChIInChI=1S/C18H20N2O/c1-18(2,13-6-8-14(19)9-7-13)17(21)15-10-5-12-4-3-11-20-16(12)15/h3-4,6-9,11,15H,5,10,19H2,1-2H3
InChIKeyOREUXNNUXZAWST-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one

2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one (PubChem CID 116598728) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one
PubChem CID116598728
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one
SMILESCC(C)(C(=O)C1CCc2cccnc21)c1ccc(N)cc1
InChIInChI=1S/C18H20N2O/c1-18(2,13-6-8-14(19)9-7-13)17(21)15-10-5-12-4-3-11-20-16(12)15/h3-4,6-9,11,15H,5,10,19H2,1-2H3
InChIKeyOREUXNNUXZAWST-UHFFFAOYSA-N
XLogP3.24
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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Disopyramide, (S)-
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1-phenyl-N-pyridin-4-ylcyclopentane-1-carboxamide
CID 648906
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CID 744343
Rhazinilam
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4'-Amino-3-(2-pyridyl)acrylophenone
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2-Pyridineacetamide, alpha-(2-(dimethylamino)propyl)-alpha-phenyl-
CID 3025060

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one (CID 116598728) is 2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one is CC(C)(C(=O)C1CCc2cccnc21)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one?
The InChIKey is OREUXNNUXZAWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,13-6-8-14(19)9-7-13)17(21)15-10-5-12-4-3-11-20-16(12)15/h3-4,6-9,11,15H,5,10,19H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one?
2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one has a molecular weight of 280.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-methylpropan-1-one is sourced from PubChem (CID 116598728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).