3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one

C20H17NO3 — CID 10286482

IUPAC3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one
SMILESCn1c(OCc2ccccc2)ccc(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C20H17NO3/c1-21-18(24-14-15-8-4-2-5-9-15)13-12-17(20(21)23)19(22)16-10-6-3-7-11-16/h2-13H,14H2,1H3
InChIKeyPNWYGWKGEVEQLE-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.20
Rot. Bonds5

About 3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one

3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one (PubChem CID 10286482) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one
PubChem CID10286482
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one
SMILESCn1c(OCc2ccccc2)ccc(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C20H17NO3/c1-21-18(24-14-15-8-4-2-5-9-15)13-12-17(20(21)23)19(22)16-10-6-3-7-11-16/h2-13H,14H2,1H3
InChIKeyPNWYGWKGEVEQLE-UHFFFAOYSA-N
XLogP3.20
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 85682712
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CID 22983
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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one?
The IUPAC name of 3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one (CID 10286482) is 3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one.
What is the SMILES notation for 3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one?
The canonical SMILES for 3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one is Cn1c(OCc2ccccc2)ccc(C(=O)c2ccccc2)c1=O.
What is the InChIKey of 3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one?
The InChIKey is PNWYGWKGEVEQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-21-18(24-14-15-8-4-2-5-9-15)13-12-17(20(21)23)19(22)16-10-6-3-7-11-16/h2-13H,14H2,1H3.
What are the key properties of 3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one?
3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one has a molecular weight of 319.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-methyl-6-phenylmethoxypyridin-2-one is sourced from PubChem (CID 10286482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).