3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one

C22H23N3O — CID 118607239

About 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one

3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one (PubChem CID 118607239) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one.

Molecular Properties

• Compound Name: 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one
• PubChem CID: 118607239
• Molecular Formula: C22H23N3O
• Molecular Weight: 345.45 g/mol
• Exact Mass: 345.18
• IUPAC Name: 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one
• SMILES: Cc1cnccc1-c1[nH]c2c(c1Nc1ccccc1)C(=O)CC(C)(C)C2
• InChI: InChI=1S/C22H23N3O/c1-14-13-23-10-9-16(14)20-21(24-15-7-5-4-6-8-15)19-17(25-20)11-22(2,3)12-18(19)26/h4-10,13,24-25H,11-12H2,1-3H3
• InChIKey: TUGAYGKCXNMQRM-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	345.45
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one?

The IUPAC name of 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one (CID 118607239) is 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one.

What is the SMILES notation for 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one?

The canonical SMILES for 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one is Cc1cnccc1-c1[nH]c2c(c1Nc1ccccc1)C(=O)CC(C)(C)C2.

What is the InChIKey of 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one?

The InChIKey is TUGAYGKCXNMQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-14-13-23-10-9-16(14)20-21(24-15-7-5-4-6-8-15)19-17(25-20)11-22(2,3)12-18(19)26/h4-10,13,24-25H,11-12H2,1-3H3.

What are the key properties of 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one?

3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one has a molecular weight of 345.45 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 118607239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).