N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

C75H60F4N18O6 — CID 123901493

IUPACN-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESC#Cc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cncc(N(CC)c3cncnc3)c2)c1.CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(C)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C20H17N5O.C19H19N5O.C18H13F3N4O2.C18H11FN4O2/c1-3-15-6-5-7-16(8-15)20(26)24-17-9-18(11-21-10-17)25(4-2)19-12-22-14-23-13-19;1-3-24(18-11-21-13-22-12-18)17-8-16(9-20-10-17)23-19(25)15-6-4-5-14(2)7-15;1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21;1-2-12-3-4-17(19)16(5-12)18(24)23-13-6-14(8-20-7-13)25-15-9-21-11-22-10-15/h1,5-14H,4H2,2H3,(H,24,26);4-13H,3H2,1-2H3,(H,23,25);2-10H,1H3,(H,24,25,26);1,3-11H,(H,23,24)
InChIKeyGPXUMVIQOYWLQB-UHFFFAOYSA-N
MW1385.42 g/mol
LogP14.13
Rot. Bonds18

About N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide

N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (PubChem CID 123901493) has the molecular formula C75H60F4N18O6 and a molecular weight of 1385.42 g/mol. Its IUPAC name is N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
PubChem CID123901493
Molecular FormulaC75H60F4N18O6
Molecular Weight1385.42 g/mol
Exact Mass1384.49
IUPAC NameN-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide
SMILESC#Cc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cncc(N(CC)c3cncnc3)c2)c1.CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(C)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1
InChIInChI=1S/C20H17N5O.C19H19N5O.C18H13F3N4O2.C18H11FN4O2/c1-3-15-6-5-7-16(8-15)20(26)24-17-9-18(11-21-10-17)25(4-2)19-12-22-14-23-13-19;1-3-24(18-11-21-13-22-12-18)17-8-16(9-20-10-17)23-19(25)15-6-4-5-14(2)7-15;1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21;1-2-12-3-4-17(19)16(5-12)18(24)23-13-6-14(8-20-7-13)25-15-9-21-11-22-10-15/h1,5-14H,4H2,2H3,(H,24,26);4-13H,3H2,1-2H3,(H,23,25);2-10H,1H3,(H,24,25,26);1,3-11H,(H,23,24)
InChIKeyGPXUMVIQOYWLQB-UHFFFAOYSA-N
XLogP14.13
TPSA296.02 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.42
LogP ≤ 514.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide with MolForge

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Related Compounds

3-ethynyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide;bis(3-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide);3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
CID 123844898
3-methyl-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
CID 58349120
N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-methylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;3-ethynyl-N-[5-[methyl(pyridin-3-yl)amino]-3-pyridinyl]benzamide;methane;3-methyl-N-[4-[methyl(pyridin-3-yl)amino]-2-pyridinyl]benzamide;3-methyl-N-(2-pyridin-3-yloxy-4-pyridinyl)benzamide;6-methyl-N-(6-pyridin-3-yloxy-2-pyridinyl)pyridine-2-carboxamide
CID 158406793
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-methylbenzamide
CID 123209020
N-[3-chloro-5-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-methylpyridine-2-carboxamide;bis(N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide);N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-ethynyl-2-fluorobenzamide;3-ethynyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide;methane
CID 161246066
6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide
CID 58349133
5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
CID 161198907
3-fluoro-N-(6-pyrimidin-5-yloxypyrazin-2-yl)benzamide
CID 118707792
3-cyano-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
CID 58349077
3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane
CID 157356230
N-[3-[(5-chloro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-5-methylpyridine-2-carboxamide;4-ethoxy-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;3-methyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 159281341
3-cyano-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide
CID 58349136

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The IUPAC name of N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide (CID 123901493) is N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The canonical SMILES for N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is C#Cc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cncc(N(CC)c3cncnc3)c2)c1.CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(C)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)c1.
What is the InChIKey of N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
The InChIKey is GPXUMVIQOYWLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O.C19H19N5O.C18H13F3N4O2.C18H11FN4O2/c1-3-15-6-5-7-16(8-15)20(26)24-17-9-18(11-21-10-17)25(4-2)19-12-22-14-23-13-19;1-3-24(18-11-21-13-22-12-18)17-8-16(9-20-10-17)23-19(25)15-6-4-5-14(2)7-15;1-11-3-2-4-12(7-11)17(26)25-15-9-22-10-16(24-15)27-13-5-6-14(23-8-13)18(19,20)21;1-2-12-3-4-17(19)16(5-12)18(24)23-13-6-14(8-20-7-13)25-15-9-21-11-22-10-15/h1,5-14H,4H2,2H3,(H,24,26);4-13H,3H2,1-2H3,(H,23,25);2-10H,1H3,(H,24,25,26);1,3-11H,(H,23,24).
What are the key properties of N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide?
N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide has a molecular weight of 1385.42 g/mol, XLogP of 14.13, 18 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-ethynylbenzamide;N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;5-ethynyl-2-fluoro-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]benzamide is sourced from PubChem (CID 123901493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).