6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione

C16H14N2O2 — CID 61356749

IUPAC6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
SMILESCc1ccc2c(c1C)N(Cc1ccccn1)C(=O)C2=O
InChIInChI=1S/C16H14N2O2/c1-10-6-7-13-14(11(10)2)18(16(20)15(13)19)9-12-5-3-4-8-17-12/h3-8H,9H2,1-2H3
InChIKeyVISQNEOVJXFHLR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.43
Rot. Bonds2

About 6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione

6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione (PubChem CID 61356749) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
PubChem CID61356749
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
SMILESCc1ccc2c(c1C)N(Cc1ccccn1)C(=O)C2=O
InChIInChI=1S/C16H14N2O2/c1-10-6-7-13-14(11(10)2)18(16(20)15(13)19)9-12-5-3-4-8-17-12/h3-8H,9H2,1-2H3
InChIKeyVISQNEOVJXFHLR-UHFFFAOYSA-N
XLogP2.43
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61357076
1-[(5-bromo-2-pyridinyl)methyl]-6,7-dimethylindole-2,3-dione
CID 104798437
1-[(2-fluorophenyl)methyl]-6,7-dimethylindole-2,3-dione
CID 61356077
6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61356418
5-ethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione
CID 61355634
1-(3-chloropropyl)-6,7-dimethylindole-2,3-dione
CID 20502556
6,7-dimethyl-1-[(3-methylimidazol-4-yl)methyl]indole-2,3-dione
CID 66141121
6,7-dimethyl-1-prop-2-enylindole-2,3-dione
CID 61355575
1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione
CID 61356574
6,7-dimethyl-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 61356078
1-heptyl-6,7-dimethylindole-2,3-dione
CID 61355246
5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61356316

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione?
The IUPAC name of 6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione (CID 61356749) is 6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione?
The canonical SMILES for 6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione is Cc1ccc2c(c1C)N(Cc1ccccn1)C(=O)C2=O.
What is the InChIKey of 6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione?
The InChIKey is VISQNEOVJXFHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-6-7-13-14(11(10)2)18(16(20)15(13)19)9-12-5-3-4-8-17-12/h3-8H,9H2,1-2H3.
What are the key properties of 6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione?
6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione has a molecular weight of 266.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-1-(pyridin-2-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61356749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).