1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one

C18H17NO2 — CID 10826532

IUPAC1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one
SMILESCn1cccc(COCc2cccc3ccccc23)c1=O
InChIInChI=1S/C18H17NO2/c1-19-11-5-9-16(18(19)20)13-21-12-15-8-4-7-14-6-2-3-10-17(14)15/h2-11H,12-13H2,1H3
InChIKeyNVSDXZZOYQLVBQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.26
Rot. Bonds4

About 1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one

1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one (PubChem CID 10826532) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one
PubChem CID10826532
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one
SMILESCn1cccc(COCc2cccc3ccccc23)c1=O
InChIInChI=1S/C18H17NO2/c1-19-11-5-9-16(18(19)20)13-21-12-15-8-4-7-14-6-2-3-10-17(14)15/h2-11H,12-13H2,1H3
InChIKeyNVSDXZZOYQLVBQ-UHFFFAOYSA-N
XLogP3.26
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one (CID 10826532) is 1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one is Cn1cccc(COCc2cccc3ccccc23)c1=O.
What is the InChIKey of 1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one?
The InChIKey is NVSDXZZOYQLVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-19-11-5-9-16(18(19)20)13-21-12-15-8-4-7-14-6-2-3-10-17(14)15/h2-11H,12-13H2,1H3.
What are the key properties of 1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one?
1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(naphthalen-1-ylmethoxymethyl)pyridin-2-one is sourced from PubChem (CID 10826532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).