4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione

C17H16N2O2 — CID 61357169

IUPAC4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
SMILESCc1cc(C)c2c(c1)N(CCc1ccccn1)C(=O)C2=O
InChIInChI=1S/C17H16N2O2/c1-11-9-12(2)15-14(10-11)19(17(21)16(15)20)8-6-13-5-3-4-7-18-13/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyHQQNJAROUYLBFP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds3

About 4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione

4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione (PubChem CID 61357169) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
PubChem CID61357169
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
SMILESCc1cc(C)c2c(c1)N(CCc1ccccn1)C(=O)C2=O
InChIInChI=1S/C17H16N2O2/c1-11-9-12(2)15-14(10-11)19(17(21)16(15)20)8-6-13-5-3-4-7-18-13/h3-5,7,9-10H,6,8H2,1-2H3
InChIKeyHQQNJAROUYLBFP-UHFFFAOYSA-N
XLogP2.47
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
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
5-ethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61355626
1-[(6-chloro-2-pyridinyl)methyl]-4,6-dimethylindole-2,3-dione
CID 79233343
4-chloro-7-fluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61358109
1-(3-methoxypropyl)-4,6-dimethylindole-2,3-dione
CID 61354634
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
5,7-difluoro-1-(2-pyridin-2-ylethyl)indole-2,3-dione
CID 61356316
3-(2-pyridin-2-ylethyl)-2-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 5113911
1-(2,4-dimethylphenyl)sulfonyl-4-(2-pyridin-2-ylethyl)piperazine
CID 17408313
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107
2-pyridin-2-ylethyl-bis(2,4,6-trimethylphenyl)phosphane
CID 139101300
1-(2-hydroxypropyl)-4,6-dimethylindole-2,3-dione
CID 61355445

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The IUPAC name of 4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione (CID 61357169) is 4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione.
What is the SMILES notation for 4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The canonical SMILES for 4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione is Cc1cc(C)c2c(c1)N(CCc1ccccn1)C(=O)C2=O.
What is the InChIKey of 4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
The InChIKey is HQQNJAROUYLBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-9-12(2)15-14(10-11)19(17(21)16(15)20)8-6-13-5-3-4-7-18-13/h3-5,7,9-10H,6,8H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione?
4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(2-pyridin-2-ylethyl)indole-2,3-dione is sourced from PubChem (CID 61357169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).