4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione

C17H16N2O2 — CID 79263145

IUPAC4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione
SMILESCc1cccc(CN2C(=O)C(=O)c3c(C)ccc(C)c32)n1
InChIInChI=1S/C17H16N2O2/c1-10-7-8-11(2)15-14(10)16(20)17(21)19(15)9-13-6-4-5-12(3)18-13/h4-8H,9H2,1-3H3
InChIKeyILYNYMZYVDVRJU-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.74
Rot. Bonds2

About 4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione

4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione (PubChem CID 79263145) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione
PubChem CID79263145
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione
SMILESCc1cccc(CN2C(=O)C(=O)c3c(C)ccc(C)c32)n1
InChIInChI=1S/C17H16N2O2/c1-10-7-8-11(2)15-14(10)16(20)17(21)19(15)9-13-6-4-5-12(3)18-13/h4-8H,9H2,1-3H3
InChIKeyILYNYMZYVDVRJU-UHFFFAOYSA-N
XLogP2.74
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione?
The IUPAC name of 4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione (CID 79263145) is 4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione.
What is the SMILES notation for 4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione?
The canonical SMILES for 4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione is Cc1cccc(CN2C(=O)C(=O)c3c(C)ccc(C)c32)n1.
What is the InChIKey of 4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione?
The InChIKey is ILYNYMZYVDVRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-7-8-11(2)15-14(10)16(20)17(21)19(15)9-13-6-4-5-12(3)18-13/h4-8H,9H2,1-3H3.
What are the key properties of 4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione?
4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2,3-dione is sourced from PubChem (CID 79263145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).