N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide

C22H12F6N4O2 — CID 58154674

IUPACN-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ncnc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H12F6N4O2/c23-21(24,25)14-5-1-4-13(9-14)20(33)32-19-18-17(29-11-30-19)8-7-16(31-18)12-3-2-6-15(10-12)34-22(26,27)28/h1-11H,(H,29,30,32,33)
InChIKeyIKTMDQFOSHFZCU-UHFFFAOYSA-N
MW478.35 g/mol
LogP5.86
Rot. Bonds4

About N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide

N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide (PubChem CID 58154674) has the molecular formula C22H12F6N4O2 and a molecular weight of 478.35 g/mol. Its IUPAC name is N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide
PubChem CID58154674
Molecular FormulaC22H12F6N4O2
Molecular Weight478.35 g/mol
Exact Mass478.09
IUPAC NameN-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ncnc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H12F6N4O2/c23-21(24,25)14-5-1-4-13(9-14)20(33)32-19-18-17(29-11-30-19)8-7-16(31-18)12-3-2-6-15(10-12)34-22(26,27)28/h1-11H,(H,29,30,32,33)
InChIKeyIKTMDQFOSHFZCU-UHFFFAOYSA-N
XLogP5.86
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.35
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]benzamide
CID 58154602
N-(6-nitroquinazolin-4-yl)-3-(trifluoromethyl)benzamide
CID 152673627
N-pyridin-2-yl-3-[3-(trifluoromethoxy)phenyl]quinoxaline-5-carboxamide
CID 58154775
N-[2-[3-(trifluoromethoxy)phenyl]quinolin-8-yl]quinoxaline-2-carboxamide
CID 58154508
2-methyl-N-[6-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]propanamide
CID 71415618
methyl 2-[3-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55871510
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461680
N-[3-[(1S,2R)-2-aminocyclopropyl]-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]benzamide
CID 123858527
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
N-(5-amino-3-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115910718
N-[4-chloro-2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 2740405

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide (CID 58154674) is N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1ncnc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is IKTMDQFOSHFZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F6N4O2/c23-21(24,25)14-5-1-4-13(9-14)20(33)32-19-18-17(29-11-30-19)8-7-16(31-18)12-3-2-6-15(10-12)34-22(26,27)28/h1-11H,(H,29,30,32,33).
What are the key properties of N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide?
N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 478.35 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(trifluoromethoxy)phenyl]pyrido[3,2-d]pyrimidin-4-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 58154674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).