N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide

C24H22F3N3O4 — CID 2001159

About N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide

N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide (PubChem CID 2001159) has the molecular formula C24H22F3N3O4 and a molecular weight of 473.45 g/mol. Its IUPAC name is N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
• PubChem CID: 2001159
• Molecular Formula: C24H22F3N3O4
• Molecular Weight: 473.45 g/mol
• Exact Mass: 473.16
• IUPAC Name: N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
• SMILES: COc1ccc(N2C(=O)[C@](NC(=O)c3cccnc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1
• InChI: InChI=1S/C24H22F3N3O4/c1-22(2)11-17-19(18(31)12-22)23(24(25,26)27,29-20(32)14-5-4-10-28-13-14)21(33)30(17)15-6-8-16(34-3)9-7-15/h4-10,13H,11-12H2,1-3H3,(H,29,32)/t23-/m0/s1
• InChIKey: MYVAXYQBXLMFQI-QHCPKHFHSA-N
• XLogP: 3.81
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.45
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide (CID 2001159) is N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide is COc1ccc(N2C(=O)[C@](NC(=O)c3cccnc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1.

What is the InChIKey of N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?

The InChIKey is MYVAXYQBXLMFQI-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22F3N3O4/c1-22(2)11-17-19(18(31)12-22)23(24(25,26)27,29-20(32)14-5-4-10-28-13-14)21(33)30(17)15-6-8-16(34-3)9-7-15/h4-10,13H,11-12H2,1-3H3,(H,29,32)/t23-/m0/s1.

What are the key properties of N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?

N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide has a molecular weight of 473.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-(4-methoxyphenyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2001159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).