N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide

C14H16F3N3O — CID 118055252

IUPACN-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide
SMILESCNC(=O)c1ccc2c3c1C(C(F)(F)F)CN3CCNC2
InChIInChI=1S/C14H16F3N3O/c1-18-13(21)9-3-2-8-6-19-4-5-20-7-10(14(15,16)17)11(9)12(8)20/h2-3,10,19H,4-7H2,1H3,(H,18,21)
InChIKeyGGFLTEJMRCIDLX-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.62
Rot. Bonds1

About N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide

N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide (PubChem CID 118055252) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide
PubChem CID118055252
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide
SMILESCNC(=O)c1ccc2c3c1C(C(F)(F)F)CN3CCNC2
InChIInChI=1S/C14H16F3N3O/c1-18-13(21)9-3-2-8-6-19-4-5-20-7-10(14(15,16)17)11(9)12(8)20/h2-3,10,19H,4-7H2,1H3,(H,18,21)
InChIKeyGGFLTEJMRCIDLX-UHFFFAOYSA-N
XLogP1.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide?
The IUPAC name of N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide (CID 118055252) is N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide.
What is the SMILES notation for N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide?
The canonical SMILES for N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide is CNC(=O)c1ccc2c3c1C(C(F)(F)F)CN3CCNC2.
What is the InChIKey of N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide?
The InChIKey is GGFLTEJMRCIDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-18-13(21)9-3-2-8-6-19-4-5-20-7-10(14(15,16)17)11(9)12(8)20/h2-3,10,19H,4-7H2,1H3,(H,18,21).
What are the key properties of N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide?
N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide has a molecular weight of 299.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-5-carboxamide is sourced from PubChem (CID 118055252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).