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

C22H20F3N3O4 — CID 662725

IUPACN-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(NC(=O)c1cccnc1)C(F)(F)F
InChIInChI=1S/C22H20F3N3O4/c1-20(2)9-15-17(16(29)10-20)21(22(23,24)25,27-18(30)13-5-3-7-26-11-13)19(31)28(15)12-14-6-4-8-32-14/h3-8,11H,9-10,12H2,1-2H3,(H,27,30)
InChIKeyKQGBIKZOMNKLOD-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.39
Rot. Bonds4

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

N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide (PubChem CID 662725) has the molecular formula C22H20F3N3O4 and a molecular weight of 447.41 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
PubChem CID662725
Molecular FormulaC22H20F3N3O4
Molecular Weight447.41 g/mol
Exact Mass447.14
IUPAC NameN-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide
SMILESCC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(NC(=O)c1cccnc1)C(F)(F)F
InChIInChI=1S/C22H20F3N3O4/c1-20(2)9-15-17(16(29)10-20)21(22(23,24)25,27-18(30)13-5-3-7-26-11-13)19(31)28(15)12-14-6-4-8-32-14/h3-8,11H,9-10,12H2,1-2H3,(H,27,30)
InChIKeyKQGBIKZOMNKLOD-UHFFFAOYSA-N
XLogP3.39
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide (CID 662725) is N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide is CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(NC(=O)c1cccnc1)C(F)(F)F.
What is the InChIKey of N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?
The InChIKey is KQGBIKZOMNKLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4/c1-20(2)9-15-17(16(29)10-20)21(22(23,24)25,27-18(30)13-5-3-7-26-11-13)19(31)28(15)12-14-6-4-8-32-14/h3-8,11H,9-10,12H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide?
N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide has a molecular weight of 447.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 662725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).