3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one

C18H16N2O2 — CID 54336762

IUPAC3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Cc1cccc(Cc2ccc[nH]c2=O)c1
InChIInChI=1S/C18H16N2O2/c21-17-15(6-2-8-19-17)11-13-4-1-5-14(10-13)12-16-7-3-9-20-18(16)22/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyTWADDOOTISJADN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.24
Rot. Bonds4

About 3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one

3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one (PubChem CID 54336762) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one
PubChem CID54336762
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1Cc1cccc(Cc2ccc[nH]c2=O)c1
InChIInChI=1S/C18H16N2O2/c21-17-15(6-2-8-19-17)11-13-4-1-5-14(10-13)12-16-7-3-9-20-18(16)22/h1-10H,11-12H2,(H,19,21)(H,20,22)
InChIKeyTWADDOOTISJADN-UHFFFAOYSA-N
XLogP2.24
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one (CID 54336762) is 3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one is O=c1[nH]cccc1Cc1cccc(Cc2ccc[nH]c2=O)c1.
What is the InChIKey of 3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one?
The InChIKey is TWADDOOTISJADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17-15(6-2-8-19-17)11-13-4-1-5-14(10-13)12-16-7-3-9-20-18(16)22/h1-10H,11-12H2,(H,19,21)(H,20,22).
What are the key properties of 3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one?
3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 54336762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).