2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C19H18F3N3O3 — CID 10453174

IUPAC2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1ccc2c([nH]c3ccccc32)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C19H18F3N3O3/c1-10(2)15(17(27)19(20,21)22)24-14(26)9-25-8-7-12-11-5-3-4-6-13(11)23-16(12)18(25)28/h3-8,10,15,23H,9H2,1-2H3,(H,24,26)
InChIKeyQAUZIVQNBQOYTJ-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.76
Rot. Bonds5

About 2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10453174) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10453174
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1ccc2c([nH]c3ccccc32)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C19H18F3N3O3/c1-10(2)15(17(27)19(20,21)22)24-14(26)9-25-8-7-12-11-5-3-4-6-13(11)23-16(12)18(25)28/h3-8,10,15,23H,9H2,1-2H3,(H,24,26)
InChIKeyQAUZIVQNBQOYTJ-UHFFFAOYSA-N
XLogP2.76
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10453174) is 2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1ccc2c([nH]c3ccccc32)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is QAUZIVQNBQOYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-10(2)15(17(27)19(20,21)22)24-14(26)9-25-8-7-12-11-5-3-4-6-13(11)23-16(12)18(25)28/h3-8,10,15,23H,9H2,1-2H3,(H,24,26).
What are the key properties of 2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 393.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-9H-pyrido[3,4-b]indol-2-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10453174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).