6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C19H13F3N4O3 — CID 3671151

IUPAC6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C19H13F3N4O3/c1-25-14(10-13-16(25)24-15-4-2-3-9-26(15)18(13)28)17(27)23-11-5-7-12(8-6-11)29-19(20,21)22/h2-10H,1H3,(H,23,27)
InChIKeyMEPOLNRIRVIKNM-UHFFFAOYSA-N
MW402.33 g/mol
LogP3.34
Rot. Bonds3

About 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 3671151) has the molecular formula C19H13F3N4O3 and a molecular weight of 402.33 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3671151
Molecular FormulaC19H13F3N4O3
Molecular Weight402.33 g/mol
Exact Mass402.09
IUPAC Name6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(=O)n3ccccc3nc21
InChIInChI=1S/C19H13F3N4O3/c1-25-14(10-13-16(25)24-15-4-2-3-9-26(15)18(13)28)17(27)23-11-5-7-12(8-6-11)29-19(20,21)22/h2-10H,1H3,(H,23,27)
InChIKeyMEPOLNRIRVIKNM-UHFFFAOYSA-N
XLogP3.34
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Related Compounds

2-amino-6-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]-3H-pyrrolo[3,2-d]pyrimidin-4-one
CID 135749912
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-(4-phenoxy-phenylamino)-nicotinamide
CID 118038480
N-[(3-methoxyphenyl)methyl]-6,7-dimethyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 135982344
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-(1-piperidinyl)-3-pyridinecarboxamide
CID 652311
N-(2-methoxy-5-methylphenyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3379882
N-(3,4-dimethoxyphenyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 3682292
N-(benzo[d][1,3]dioxol-5-yl)-1-(3-methoxypropyl)-9-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 4904445
N-(2H-1,3-benzodioxol-5-yl)-6-(3-methoxypropyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4907473
N-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-2-carboxamide
CID 135982359
US9670214, Table 12.14
CID 42634043
US9670214, Table 12.22
CID 42634223
US9670214, Table 12.21
CID 68627597

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 3671151) is 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cn1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc2c(=O)n3ccccc3nc21.
What is the InChIKey of 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is MEPOLNRIRVIKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3/c1-25-14(10-13-16(25)24-15-4-2-3-9-26(15)18(13)28)17(27)23-11-5-7-12(8-6-11)29-19(20,21)22/h2-10H,1H3,(H,23,27).
What are the key properties of 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 402.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 3671151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).