1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one

C25H26N2O2 — CID 158612443

IUPAC1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
SMILESC=C1CCc2cc(-c3cc(C)c(=O)n(C)c3)cc(O[C@@H](C)c3ccccn3)c2C1
InChIInChI=1S/C25H26N2O2/c1-16-8-9-19-13-20(21-12-17(2)25(28)27(4)15-21)14-24(22(19)11-16)29-18(3)23-7-5-6-10-26-23/h5-7,10,12-15,18H,1,8-9,11H2,2-4H3/t18-/m0/s1
InChIKeyNTDJSFVXOCMOMQ-SFHVURJKSA-N
MW386.50 g/mol
LogP4.94
Rot. Bonds4

About 1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one

1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one (PubChem CID 158612443) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
PubChem CID158612443
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
SMILESC=C1CCc2cc(-c3cc(C)c(=O)n(C)c3)cc(O[C@@H](C)c3ccccn3)c2C1
InChIInChI=1S/C25H26N2O2/c1-16-8-9-19-13-20(21-12-17(2)25(28)27(4)15-21)14-24(22(19)11-16)29-18(3)23-7-5-6-10-26-23/h5-7,10,12-15,18H,1,8-9,11H2,2-4H3/t18-/m0/s1
InChIKeyNTDJSFVXOCMOMQ-SFHVURJKSA-N
XLogP4.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-[6-oxo-4-(1,3-thiazol-2-ylmethoxy)-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 148625500
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-7-methyl-1-(1-pyridin-2-ylethyl)-3,4-dihydroquinolin-2-one
CID 147442836
6-bromo-8-(1,3-oxazol-2-ylmethoxy)-3,4-dihydro-1H-naphthalen-2-one;1,3-dimethyl-5-[4-(1,3-oxazol-2-ylmethoxy)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 159929180
5-(4-benzyl-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-1,3-dimethylpyridin-2-one
CID 149362896
6-bromo-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 161223377
5-bromo-1-methyl-7-[(1R)-1-pyridin-2-ylethoxy]benzimidazole
CID 178013675
5-[4-(cyclopentyloxymethyl)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]-1,3-dimethylpyridin-2-one
CID 158074275
3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
CID 117053449
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
1,3-dimethyl-5-(1-methylimidazol-2-yl)pyridin-2-one
CID 134306065
2,2-dimethyl-4-(1-pyridin-2-ylethoxy)-3H-1-benzofuran-6-carboxylic acid
CID 67482672

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one (CID 158612443) is 1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one is C=C1CCc2cc(-c3cc(C)c(=O)n(C)c3)cc(O[C@@H](C)c3ccccn3)c2C1.
What is the InChIKey of 1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
The InChIKey is NTDJSFVXOCMOMQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-16-8-9-19-13-20(21-12-17(2)25(28)27(4)15-21)14-24(22(19)11-16)29-18(3)23-7-5-6-10-26-23/h5-7,10,12-15,18H,1,8-9,11H2,2-4H3/t18-/m0/s1.
What are the key properties of 1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one?
1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one has a molecular weight of 386.50 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[6-methylidene-4-[(1S)-1-pyridin-2-ylethoxy]-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one is sourced from PubChem (CID 158612443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).