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

C22H19F3N4O2 — CID 54399540

IUPAC5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(Oc3cccnc3C)n1)CC2
InChIInChI=1S/C22H19F3N4O2/c1-13-11-15-8-10-29(17(15)12-16(13)22(23,24)25)21(30)28-19-6-3-7-20(27-19)31-18-5-4-9-26-14(18)2/h3-7,9,11-12H,8,10H2,1-2H3,(H,27,28,30)
InChIKeyVMKSKSZLFIYYJP-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.50
Rot. Bonds3

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

5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 54399540) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
PubChem CID54399540
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
SMILESCc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(Oc3cccnc3C)n1)CC2
InChIInChI=1S/C22H19F3N4O2/c1-13-11-15-8-10-29(17(15)12-16(13)22(23,24)25)21(30)28-19-6-3-7-20(27-19)31-18-5-4-9-26-14(18)2/h3-7,9,11-12H,8,10H2,1-2H3,(H,27,28,30)
InChIKeyVMKSKSZLFIYYJP-UHFFFAOYSA-N
XLogP5.50
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide (CID 54399540) is 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(Oc3cccnc3C)n1)CC2.
What is the InChIKey of 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is VMKSKSZLFIYYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-13-11-15-8-10-29(17(15)12-16(13)22(23,24)25)21(30)28-19-6-3-7-20(27-19)31-18-5-4-9-26-14(18)2/h3-7,9,11-12H,8,10H2,1-2H3,(H,27,28,30).
What are the key properties of 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide?
5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 54399540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).