N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide

C15H8F3N7O2 — CID 16653997

IUPACN-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide
SMILESO=C(Nn1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O)c1cccnc1
InChIInChI=1S/C15H8F3N7O2/c16-15(17,18)13-21-14-20-7-9-10(25(14)23-13)3-5-24(12(9)27)22-11(26)8-2-1-4-19-6-8/h1-7H,(H,22,26)
InChIKeyNIHXAYDSQUXJQW-UHFFFAOYSA-N
MW375.27 g/mol
LogP1.24
Rot. Bonds2

About N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide

N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide (PubChem CID 16653997) has the molecular formula C15H8F3N7O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide
PubChem CID16653997
Molecular FormulaC15H8F3N7O2
Molecular Weight375.27 g/mol
Exact Mass375.07
IUPAC NameN-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide
SMILESO=C(Nn1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O)c1cccnc1
InChIInChI=1S/C15H8F3N7O2/c16-15(17,18)13-21-14-20-7-9-10(25(14)23-13)3-5-24(12(9)27)22-11(26)8-2-1-4-19-6-8/h1-7H,(H,22,26)
InChIKeyNIHXAYDSQUXJQW-UHFFFAOYSA-N
XLogP1.24
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(4-methyl-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 66502132
11-(3,4-dichlorophenyl)-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 43864349
N-[4-(methoxymethyl)-10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]-2-methylbenzamide
CID 66504763
butyl 4-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]benzoate
CID 43864339
4-pyridin-3-yl-11-(1,2,4-triazol-4-yl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 17036663
N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]pyridine-3-carboxamide
CID 1107922
N-(4-ethyl-10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide
CID 66505604
N-(10-oxo-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzamide
CID 66505689
(10-oxo-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)thiourea
CID 29022051
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)pyridine-3-carboxamide
CID 43816389
11-(4-acetylphenyl)-4-(trifluoromethyl)-2,3,5,7,8,11-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 66498934
N-(6-aminopurin-9-yl)pyridine-3-carboxamide
CID 57322773

Frequently Asked Questions

What is the IUPAC name of N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide?
The IUPAC name of N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide (CID 16653997) is N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide is O=C(Nn1ccc2c(cnc3nc(C(F)(F)F)nn32)c1=O)c1cccnc1.
What is the InChIKey of N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide?
The InChIKey is NIHXAYDSQUXJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N7O2/c16-15(17,18)13-21-14-20-7-9-10(25(14)23-13)3-5-24(12(9)27)22-11(26)8-2-1-4-19-6-8/h1-7H,(H,22,26).
What are the key properties of N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide?
N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-oxo-4-(trifluoromethyl)-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl]pyridine-3-carboxamide is sourced from PubChem (CID 16653997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).