11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide

C20H17F3N4O2 — CID 4096422

IUPAC11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
SMILESCc1cccn2c(=O)c3c(nc12)CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C3
InChIInChI=1S/C20H17F3N4O2/c1-12-4-3-8-27-17(12)25-16-7-9-26(11-15(16)18(27)28)19(29)24-14-6-2-5-13(10-14)20(21,22)23/h2-6,8,10H,7,9,11H2,1H3,(H,24,29)
InChIKeyVUMGVIWKQUOWDB-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.61
Rot. Bonds1

About 11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide

11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide (PubChem CID 4096422) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide.

Molecular Properties

Compound Name11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
PubChem CID4096422
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide
SMILESCc1cccn2c(=O)c3c(nc12)CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C3
InChIInChI=1S/C20H17F3N4O2/c1-12-4-3-8-27-17(12)25-16-7-9-26(11-15(16)18(27)28)19(29)24-14-6-2-5-13(10-14)20(21,22)23/h2-6,8,10H,7,9,11H2,1H3,(H,24,29)
InChIKeyVUMGVIWKQUOWDB-UHFFFAOYSA-N
XLogP3.61
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The IUPAC name of 11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide (CID 4096422) is 11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide.
What is the SMILES notation for 11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The canonical SMILES for 11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide is Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)Nc1cccc(C(F)(F)F)c1)C3.
What is the InChIKey of 11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
The InChIKey is VUMGVIWKQUOWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-12-4-3-8-27-17(12)25-16-7-9-26(11-15(16)18(27)28)19(29)24-14-6-2-5-13(10-14)20(21,22)23/h2-6,8,10H,7,9,11H2,1H3,(H,24,29).
What are the key properties of 11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide?
11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide has a molecular weight of 402.38 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraene-5-carboxamide is sourced from PubChem (CID 4096422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).