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

C20H22F3N3O3 — CID 2962169

IUPACN-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
SMILESCCCN1C(=O)C(NC(=O)c2ccncc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C20H22F3N3O3/c1-4-9-26-13-10-18(2,3)11-14(27)15(13)19(17(26)29,20(21,22)23)25-16(28)12-5-7-24-8-6-12/h5-8H,4,9-11H2,1-3H3,(H,25,28)
InChIKeyZFELZNXRIPCCIS-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.01
Rot. Bonds4

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

N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide (PubChem CID 2962169) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
PubChem CID2962169
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC NameN-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide
SMILESCCCN1C(=O)C(NC(=O)c2ccncc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C20H22F3N3O3/c1-4-9-26-13-10-18(2,3)11-14(27)15(13)19(17(26)29,20(21,22)23)25-16(28)12-5-7-24-8-6-12/h5-8H,4,9-11H2,1-3H3,(H,25,28)
InChIKeyZFELZNXRIPCCIS-UHFFFAOYSA-N
XLogP3.01
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide (CID 2962169) is N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide is CCCN1C(=O)C(NC(=O)c2ccncc2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide?
The InChIKey is ZFELZNXRIPCCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c1-4-9-26-13-10-18(2,3)11-14(27)15(13)19(17(26)29,20(21,22)23)25-16(28)12-5-7-24-8-6-12/h5-8H,4,9-11H2,1-3H3,(H,25,28).
What are the key properties of N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide?
N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide has a molecular weight of 409.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-2,4-dioxo-1-propyl-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 2962169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).