3-(benzhydrylideneamino)-1-methylpyridin-2-one

C19H16N2O — CID 141425997

IUPAC3-(benzhydrylideneamino)-1-methylpyridin-2-one
SMILESCn1cccc(N=C(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C19H16N2O/c1-21-14-8-13-17(19(21)22)20-18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyXTTJTVFCRCIWPB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.55
Rot. Bonds3

About 3-(benzhydrylideneamino)-1-methylpyridin-2-one

3-(benzhydrylideneamino)-1-methylpyridin-2-one (PubChem CID 141425997) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(benzhydrylideneamino)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(benzhydrylideneamino)-1-methylpyridin-2-one
PubChem CID141425997
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name3-(benzhydrylideneamino)-1-methylpyridin-2-one
SMILESCn1cccc(N=C(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C19H16N2O/c1-21-14-8-13-17(19(21)22)20-18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3
InChIKeyXTTJTVFCRCIWPB-UHFFFAOYSA-N
XLogP3.55
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(benzhydrylideneamino)-1-methylpyridin-2-one?
The IUPAC name of 3-(benzhydrylideneamino)-1-methylpyridin-2-one (CID 141425997) is 3-(benzhydrylideneamino)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(benzhydrylideneamino)-1-methylpyridin-2-one?
The canonical SMILES for 3-(benzhydrylideneamino)-1-methylpyridin-2-one is Cn1cccc(N=C(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 3-(benzhydrylideneamino)-1-methylpyridin-2-one?
The InChIKey is XTTJTVFCRCIWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-21-14-8-13-17(19(21)22)20-18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-14H,1H3.
What are the key properties of 3-(benzhydrylideneamino)-1-methylpyridin-2-one?
3-(benzhydrylideneamino)-1-methylpyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydrylideneamino)-1-methylpyridin-2-one is sourced from PubChem (CID 141425997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).