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

C71H62F3N19O6 — CID 123982337

IUPACN-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide
SMILESCCN(c1cncnc1)c1cncc(NC(=O)c2cccc(C)c2)c1.Cc1cccc(C(=O)Nc2cncc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)n1.Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1
InChIInChI=1S/C19H19N5O.C18H17N5O.C17H12F3N5O2.C17H14N4O2/c1-3-24(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;1-13-4-3-5-14(6-13)18(24)22-15-7-16(9-19-8-15)23(2)17-10-20-12-21-11-17;1-10-3-2-4-12(23-10)16(26)25-14-8-21-9-15(24-14)27-11-5-6-13(22-7-11)17(18,19)20;1-12-3-2-4-13(5-12)17(22)21-14-6-15(8-18-7-14)23-16-9-19-11-20-10-16/h4-13H,3H2,1-2H3,(H,23,25);3-12H,1-2H3,(H,22,24);2-9H,1H3,(H,24,25,26);2-11H,1H3,(H,21,22)
InChIKeyCLIAVYFQUBZJNI-UHFFFAOYSA-N
MW1334.40 g/mol
LogP13.65
Rot. Bonds17

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

N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide (PubChem CID 123982337) has the molecular formula C71H62F3N19O6 and a molecular weight of 1334.40 g/mol. Its IUPAC name is N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide
PubChem CID123982337
Molecular FormulaC71H62F3N19O6
Molecular Weight1334.40 g/mol
Exact Mass1333.51
IUPAC NameN-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide
SMILESCCN(c1cncnc1)c1cncc(NC(=O)c2cccc(C)c2)c1.Cc1cccc(C(=O)Nc2cncc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)n1.Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1
InChIInChI=1S/C19H19N5O.C18H17N5O.C17H12F3N5O2.C17H14N4O2/c1-3-24(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;1-13-4-3-5-14(6-13)18(24)22-15-7-16(9-19-8-15)23(2)17-10-20-12-21-11-17;1-10-3-2-4-12(23-10)16(26)25-14-8-21-9-15(24-14)27-11-5-6-13(22-7-11)17(18,19)20;1-12-3-2-4-13(5-12)17(22)21-14-6-15(8-18-7-14)23-16-9-19-11-20-10-16/h4-13H,3H2,1-2H3,(H,23,25);3-12H,1-2H3,(H,22,24);2-9H,1H3,(H,24,25,26);2-11H,1H3,(H,21,22)
InChIKeyCLIAVYFQUBZJNI-UHFFFAOYSA-N
XLogP13.65
TPSA308.91 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001334.40
LogP ≤ 513.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

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

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Related Compounds

6-(6-amino-3-pyridinyl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
CID 124196707
N-[6-[(5-fluoro-3-pyridinyl)oxy]pyrazin-2-yl]-4-methylpyridine-2-carboxamide
CID 118707833
2-(1,1-difluoroethyl)-N-[5-(5-ethoxy-6-morpholin-4-ylpyridin-2-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610054
2-fluoro-N-(2-phenyl-5-(pyridin-2-yloxy)pyridin-3-yl)-5-(pyrimidin-2-yl)-4-(trifluoromethyl)benzamide
CID 118392403
2-fluoro-N-(2-phenyl-5-(pyridin-4-ylmethoxy)pyridin-3-yl)-5-(pyrimidin-2-yl)-4-(trifluoromethyl)benzamide
CID 118393604
N-[4-(4-methoxyphenoxy)-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]-3-(trifluoromethyl)benzamide
CID 155532831
N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]pyridine-4-carboxamide
CID 162394762
3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]pyrazin-2-yl]benzamide
CID 58349098
6-methyl-N-[6-[6-(trifluoromethyl)pyridin-3-yl]oxypyrazin-2-yl]pyridine-2-carboxamide
CID 58349133
3-methyl-N-[6-[6-(trifluoromethyl)pyridin-3-yl]oxypyrazin-2-yl]benzamide
CID 58349142
N-(5-pyrimidin-5-yloxypyridin-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 58349186
US8598345, Table 1-58
CID 69940591

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide (CID 123982337) is N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide is CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(C)c2)c1.Cc1cccc(C(=O)Nc2cncc(N(C)c3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3ccc(C(F)(F)F)nc3)n2)n1.Cc1cccc(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.
What is the InChIKey of N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide?
The InChIKey is CLIAVYFQUBZJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.C18H17N5O.C17H12F3N5O2.C17H14N4O2/c1-3-24(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;1-13-4-3-5-14(6-13)18(24)22-15-7-16(9-19-8-15)23(2)17-10-20-12-21-11-17;1-10-3-2-4-12(23-10)16(26)25-14-8-21-9-15(24-14)27-11-5-6-13(22-7-11)17(18,19)20;1-12-3-2-4-13(5-12)17(22)21-14-6-15(8-18-7-14)23-16-9-19-11-20-10-16/h4-13H,3H2,1-2H3,(H,23,25);3-12H,1-2H3,(H,22,24);2-9H,1H3,(H,24,25,26);2-11H,1H3,(H,21,22).
What are the key properties of N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide?
N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide has a molecular weight of 1334.40 g/mol, XLogP of 13.65, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(pyrimidin-5-yl)amino]-3-pyridinyl]-3-methylbenzamide;3-methyl-N-[5-[methyl(pyrimidin-5-yl)amino]-3-pyridinyl]benzamide;3-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;6-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrazin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 123982337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).