1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one

C16H18N2O2 — CID 107682187

IUPAC1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one
SMILESCCn1cc(NC2CCc3cc(O)ccc32)ccc1=O
InChIInChI=1S/C16H18N2O2/c1-2-18-10-12(4-8-16(18)20)17-15-7-3-11-9-13(19)5-6-14(11)15/h4-6,8-10,15,17,19H,2-3,7H2,1H3
InChIKeyUMWXVAAXGDAAIU-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.67
Rot. Bonds3

About 1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one

1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one (PubChem CID 107682187) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one
PubChem CID107682187
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one
SMILESCCn1cc(NC2CCc3cc(O)ccc32)ccc1=O
InChIInChI=1S/C16H18N2O2/c1-2-18-10-12(4-8-16(18)20)17-15-7-3-11-9-13(19)5-6-14(11)15/h4-6,8-10,15,17,19H,2-3,7H2,1H3
InChIKeyUMWXVAAXGDAAIU-UHFFFAOYSA-N
XLogP2.67
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one (CID 107682187) is 1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one is CCn1cc(NC2CCc3cc(O)ccc32)ccc1=O.
What is the InChIKey of 1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one?
The InChIKey is UMWXVAAXGDAAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-18-10-12(4-8-16(18)20)17-15-7-3-11-9-13(19)5-6-14(11)15/h4-6,8-10,15,17,19H,2-3,7H2,1H3.
What are the key properties of 1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one?
1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridin-2-one is sourced from PubChem (CID 107682187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).