5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione

C16H14N2O3 — CID 115982073

IUPAC5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ncccc1C
InChIInChI=1S/C16H14N2O3/c1-10-4-3-7-17-13(10)9-18-14-6-5-11(21-2)8-12(14)15(19)16(18)20/h3-8H,9H2,1-2H3
InChIKeyYNHOJLMWWBBGNK-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.13
Rot. Bonds3

About 5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione

5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione (PubChem CID 115982073) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
PubChem CID115982073
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ncccc1C
InChIInChI=1S/C16H14N2O3/c1-10-4-3-7-17-13(10)9-18-14-6-5-11(21-2)8-12(14)15(19)16(18)20/h3-8H,9H2,1-2H3
InChIKeyYNHOJLMWWBBGNK-UHFFFAOYSA-N
XLogP2.13
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione
CID 115886887
6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356418
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
5-methoxy-1-(thiophen-2-ylmethyl)indole-2,3-dione
CID 61356112
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyindole-2,3-dione
CID 79765636
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63702848
1-[(5-bromo-3-pyridinyl)methyl]-5-methoxyindole-2,3-dione
CID 104798464
1-(2-ethylsulfonylethyl)-5-methoxyindole-2,3-dione
CID 61355618
5-methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 61355458
1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372231
1-but-2-ynyl-5-methoxyindole-2,3-dione
CID 55057460

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione?
The IUPAC name of 5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione (CID 115982073) is 5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione?
The canonical SMILES for 5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione is COc1ccc2c(c1)C(=O)C(=O)N2Cc1ncccc1C.
What is the InChIKey of 5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione?
The InChIKey is YNHOJLMWWBBGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-4-3-7-17-13(10)9-18-14-6-5-11(21-2)8-12(14)15(19)16(18)20/h3-8H,9H2,1-2H3.
What are the key properties of 5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione?
5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione has a molecular weight of 282.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(3-methyl-2-pyridinyl)methyl]indole-2,3-dione is sourced from PubChem (CID 115982073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).