N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C69H62BBrF12N12O8S — CID 160654087

IUPACN-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cnc3C)c(C)nc2n1.CCc1ncc2cc(OS(=O)(=O)C(F)(F)F)c(C)nc2n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C24H20F3N5O.C20H22BF3N2O3.C14H10BrF3N2O.C11H10F3N3O3S/c1-4-21-29-11-16-9-19(14(3)30-22(16)32-21)20-10-18(12-28-13(20)2)31-23(33)15-6-5-7-17(8-15)24(25,26)27;1-12-16(21-28-18(2,3)19(4,5)29-21)10-15(11-25-12)26-17(27)13-7-6-8-14(9-13)20(22,23)24;1-8-12(15)6-11(7-19-8)20-13(21)9-3-2-4-10(5-9)14(16,17)18;1-3-9-15-5-7-4-8(6(2)16-10(7)17-9)20-21(18,19)11(12,13)14/h5-12H,4H2,1-3H3,(H,31,33);6-11H,1-5H3,(H,26,27);2-7H,1H3,(H,20,21);4-5H,3H2,1-2H3
InChIKeyRKUVHASKFNRWHW-UHFFFAOYSA-N
MW1538.09 g/mol
LogP16.05
Rot. Bonds12

About N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 160654087) has the molecular formula C69H62BBrF12N12O8S and a molecular weight of 1538.09 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID160654087
Molecular FormulaC69H62BBrF12N12O8S
Molecular Weight1538.09 g/mol
Exact Mass1536.36
IUPAC NameN-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cnc3C)c(C)nc2n1.CCc1ncc2cc(OS(=O)(=O)C(F)(F)F)c(C)nc2n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Br
InChIInChI=1S/C24H20F3N5O.C20H22BF3N2O3.C14H10BrF3N2O.C11H10F3N3O3S/c1-4-21-29-11-16-9-19(14(3)30-22(16)32-21)20-10-18(12-28-13(20)2)31-23(33)15-6-5-7-17(8-15)24(25,26)27;1-12-16(21-28-18(2,3)19(4,5)29-21)10-15(11-25-12)26-17(27)13-7-6-8-14(9-13)20(22,23)24;1-8-12(15)6-11(7-19-8)20-13(21)9-3-2-4-10(5-9)14(16,17)18;1-3-9-15-5-7-4-8(6(2)16-10(7)17-9)20-21(18,19)11(12,13)14/h5-12H,4H2,1-3H3,(H,31,33);6-11H,1-5H3,(H,26,27);2-7H,1H3,(H,20,21);4-5H,3H2,1-2H3
InChIKeyRKUVHASKFNRWHW-UHFFFAOYSA-N
XLogP16.05
TPSA265.14 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.09
LogP ≤ 516.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylaniline;N-[3-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 159400850
6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylpyrido[2,3-d]pyrimidin-2-amine;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 159643770
4-[8-(3-aminophenyl)quinazolin-6-yl]-N-pyridin-2-ylbenzamide;[6-[4-(pyridin-2-ylcarbamoyl)phenyl]quinazolin-8-yl] trifluoromethanesulfonate;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 160100556
ethanamine;N-[4-methyl-3-(7-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-6-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(7-methyl-2-propylpyrido[2,3-d]pyrimidin-6-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;(7-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 161554858
6-bromo-2-[1-(4-methoxyphenyl)propan-2-yl]pyrido[2,3-d]pyrimidine;N-[5-(2-ethylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-[(4-methoxyphenyl)methyl-methylamino]pyrido[2,3-d]pyrimidin-6-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 162013147

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 160654087) is N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCc1ncc2cc(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cnc3C)c(C)nc2n1.CCc1ncc2cc(OS(=O)(=O)C(F)(F)F)c(C)nc2n1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RKUVHASKFNRWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O.C20H22BF3N2O3.C14H10BrF3N2O.C11H10F3N3O3S/c1-4-21-29-11-16-9-19(14(3)30-22(16)32-21)20-10-18(12-28-13(20)2)31-23(33)15-6-5-7-17(8-15)24(25,26)27;1-12-16(21-28-18(2,3)19(4,5)29-21)10-15(11-25-12)26-17(27)13-7-6-8-14(9-13)20(22,23)24;1-8-12(15)6-11(7-19-8)20-13(21)9-3-2-4-10(5-9)14(16,17)18;1-3-9-15-5-7-4-8(6(2)16-10(7)17-9)20-21(18,19)11(12,13)14/h5-12H,4H2,1-3H3,(H,31,33);6-11H,1-5H3,(H,26,27);2-7H,1H3,(H,20,21);4-5H,3H2,1-2H3.
What are the key properties of N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1538.09 g/mol, XLogP of 16.05, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide;N-[5-(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;(2-ethyl-7-methylpyrido[2,3-d]pyrimidin-6-yl) trifluoromethanesulfonate;N-[6-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 160654087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).