4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide

C20H20F3N3O3 — CID 57377281

IUPAC4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccccn1)N1C(=O)Cc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C20H20F3N3O3/c1-12(2)9-16(19(28)25-17-5-3-4-8-24-17)26-15-7-6-14(29-20(21,22)23)10-13(15)11-18(26)27/h3-8,10,12,16H,9,11H2,1-2H3,(H,24,25,28)
InChIKeyLNPYHNXLELZZBS-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.92
Rot. Bonds6

About 4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide

4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide (PubChem CID 57377281) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide
PubChem CID57377281
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide
SMILESCC(C)CC(C(=O)Nc1ccccn1)N1C(=O)Cc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C20H20F3N3O3/c1-12(2)9-16(19(28)25-17-5-3-4-8-24-17)26-15-7-6-14(29-20(21,22)23)10-13(15)11-18(26)27/h3-8,10,12,16H,9,11H2,1-2H3,(H,24,25,28)
InChIKeyLNPYHNXLELZZBS-UHFFFAOYSA-N
XLogP3.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide?
The IUPAC name of 4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide (CID 57377281) is 4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide.
What is the SMILES notation for 4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide?
The canonical SMILES for 4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide is CC(C)CC(C(=O)Nc1ccccn1)N1C(=O)Cc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide?
The InChIKey is LNPYHNXLELZZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-12(2)9-16(19(28)25-17-5-3-4-8-24-17)26-15-7-6-14(29-20(21,22)23)10-13(15)11-18(26)27/h3-8,10,12,16H,9,11H2,1-2H3,(H,24,25,28).
What are the key properties of 4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide?
4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide has a molecular weight of 407.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-5-(trifluoromethoxy)-3H-indol-1-yl]-N-pyridin-2-ylpentanamide is sourced from PubChem (CID 57377281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).