3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one

C24H27N3O2 — CID 118606985

About 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one

3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one (PubChem CID 118606985) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one.

Molecular Properties

• Compound Name: 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
• PubChem CID: 118606985
• Molecular Formula: C24H27N3O2
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.21
• IUPAC Name: 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
• SMILES: CCC(O)c1cccc(Nc2c(-c3ccncc3)[nH]c3c2C(=O)CC(C)(C)C3)c1
• InChI: InChI=1S/C24H27N3O2/c1-4-19(28)16-6-5-7-17(12-16)26-23-21-18(13-24(2,3)14-20(21)29)27-22(23)15-8-10-25-11-9-15/h5-12,19,26-28H,4,13-14H2,1-3H3
• InChIKey: VSCWRZSBXPGRRL-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 78.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one?

The IUPAC name of 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one (CID 118606985) is 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one.

What is the SMILES notation for 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one?

The canonical SMILES for 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one is CCC(O)c1cccc(Nc2c(-c3ccncc3)[nH]c3c2C(=O)CC(C)(C)C3)c1.

What is the InChIKey of 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one?

The InChIKey is VSCWRZSBXPGRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-19(28)16-6-5-7-17(12-16)26-23-21-18(13-24(2,3)14-20(21)29)27-22(23)15-8-10-25-11-9-15/h5-12,19,26-28H,4,13-14H2,1-3H3.

What are the key properties of 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one?

3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one has a molecular weight of 389.50 g/mol, XLogP of 5.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 118606985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).