5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

C23H21F3N4O2 — CID 18357730

IUPAC5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2
InChIInChI=1S/C23H21F3N4O2/c1-14-9-16-6-8-30(20(16)11-19(14)23(24,25)26)22(31)29-18-10-15(2)21(28-12-18)32-13-17-5-3-4-7-27-17/h3-5,7,9-12H,6,8,13H2,1-2H3,(H,29,31)
InChIKeyQFPXEFZKXYSMPH-UHFFFAOYSA-N
MW442.44 g/mol
LogP5.29
Rot. Bonds4

About 5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 18357730) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is 5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID18357730
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC Name5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2
InChIInChI=1S/C23H21F3N4O2/c1-14-9-16-6-8-30(20(16)11-19(14)23(24,25)26)22(31)29-18-10-15(2)21(28-12-18)32-13-17-5-3-4-7-27-17/h3-5,7,9-12H,6,8,13H2,1-2H3,(H,29,31)
InChIKeyQFPXEFZKXYSMPH-UHFFFAOYSA-N
XLogP5.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 18357730) is 5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cnc(OCc3ccccn3)c(C)c1)CC2.
What is the InChIKey of 5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is QFPXEFZKXYSMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-14-9-16-6-8-30(20(16)11-19(14)23(24,25)26)22(31)29-18-10-15(2)21(28-12-18)32-13-17-5-3-4-7-27-17/h3-5,7,9-12H,6,8,13H2,1-2H3,(H,29,31).
What are the key properties of 5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[5-methyl-6-(pyridin-2-ylmethoxy)-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 18357730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).