N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide

C24H26N4O2S — CID 1383864

About N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 1383864) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
• PubChem CID: 1383864
• Molecular Formula: C24H26N4O2S
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.18
• IUPAC Name: N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
• SMILES: Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C
• InChI: InChI=1S/C24H26N4O2S/c1-15-21(26-23(31-15)27-22(30)18-7-5-6-11-25-18)17-8-9-19-16(13-17)10-12-28(19)20(29)14-24(2,3)4/h5-9,11,13H,10,12,14H2,1-4H3,(H,26,27,30)
• InChIKey: JPQCCTNZZVSMLM-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 1383864) is N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide is Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C.

What is the InChIKey of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?

The InChIKey is JPQCCTNZZVSMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-15-21(26-23(31-15)27-22(30)18-7-5-6-11-25-18)17-8-9-19-16(13-17)10-12-28(19)20(29)14-24(2,3)4/h5-9,11,13H,10,12,14H2,1-4H3,(H,26,27,30).

What are the key properties of N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?

N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(3,3-dimethylbutanoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 1383864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).