4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide

C99H83F2N15O11S — CID 160864589

IUPAC4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.CCOc1cccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1.Cc1cccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(-c2ccccc2)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C23H17N3O2.C21H21N3O2.C19H17N3O3.C18H13F2N3O2S.C18H15N3O2/c27-22(19-8-6-17(7-9-19)16-4-2-1-3-5-16)26-21-14-20(15-25-23(21)28)18-10-12-24-13-11-18;1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14;1-2-25-16-5-3-4-14(10-16)18(23)22-17-11-15(12-21-19(17)24)13-6-8-20-9-7-13;19-18(20)26-14-3-1-12(2-4-14)16(24)23-15-9-13(10-22-17(15)25)11-5-7-21-8-6-11;1-12-3-2-4-14(9-12)17(22)21-16-10-15(11-20-18(16)23)13-5-7-19-8-6-13/h1-15H,(H,25,28)(H,26,27);4-13H,1-3H3,(H,23,26)(H,24,25);3-12H,2H2,1H3,(H,21,24)(H,22,23);1-10,18H,(H,22,25)(H,23,24);2-11H,1H3,(H,20,23)(H,21,22)
InChIKeySKYAOMLGUMSBAX-UHFFFAOYSA-N
MW1728.91 g/mol
LogP18.43
Rot. Bonds20

About 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide

4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide (PubChem CID 160864589) has the molecular formula C99H83F2N15O11S and a molecular weight of 1728.91 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide
PubChem CID160864589
Molecular FormulaC99H83F2N15O11S
Molecular Weight1728.91 g/mol
Exact Mass1727.61
IUPAC Name4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.CCOc1cccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1.Cc1cccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(-c2ccccc2)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(SC(F)F)cc1
InChIInChI=1S/C23H17N3O2.C21H21N3O2.C19H17N3O3.C18H13F2N3O2S.C18H15N3O2/c27-22(19-8-6-17(7-9-19)16-4-2-1-3-5-16)26-21-14-20(15-25-23(21)28)18-10-12-24-13-11-18;1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14;1-2-25-16-5-3-4-14(10-16)18(23)22-17-11-15(12-21-19(17)24)13-6-8-20-9-7-13;19-18(20)26-14-3-1-12(2-4-14)16(24)23-15-9-13(10-22-17(15)25)11-5-7-21-8-6-11;1-12-3-2-4-14(9-12)17(22)21-16-10-15(11-20-18(16)23)13-5-7-19-8-6-13/h1-15H,(H,25,28)(H,26,27);4-13H,1-3H3,(H,23,26)(H,24,25);3-12H,2H2,1H3,(H,21,24)(H,22,23);1-10,18H,(H,22,25)(H,23,24);2-11H,1H3,(H,20,23)(H,21,22)
InChIKeySKYAOMLGUMSBAX-UHFFFAOYSA-N
XLogP18.43
TPSA383.48 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms128
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001728.91
LogP ≤ 518.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide?
The IUPAC name of 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide (CID 160864589) is 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide?
The canonical SMILES for 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)cc1.CCOc1cccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1.Cc1cccc(C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)c1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(-c2ccccc2)cc1.O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(SC(F)F)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide?
The InChIKey is SKYAOMLGUMSBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2.C21H21N3O2.C19H17N3O3.C18H13F2N3O2S.C18H15N3O2/c27-22(19-8-6-17(7-9-19)16-4-2-1-3-5-16)26-21-14-20(15-25-23(21)28)18-10-12-24-13-11-18;1-21(2,3)17-6-4-15(5-7-17)19(25)24-18-12-16(13-23-20(18)26)14-8-10-22-11-9-14;1-2-25-16-5-3-4-14(10-16)18(23)22-17-11-15(12-21-19(17)24)13-6-8-20-9-7-13;19-18(20)26-14-3-1-12(2-4-14)16(24)23-15-9-13(10-22-17(15)25)11-5-7-21-8-6-11;1-12-3-2-4-14(9-12)17(22)21-16-10-15(11-20-18(16)23)13-5-7-19-8-6-13/h1-15H,(H,25,28)(H,26,27);4-13H,1-3H3,(H,23,26)(H,24,25);3-12H,2H2,1H3,(H,21,24)(H,22,23);1-10,18H,(H,22,25)(H,23,24);2-11H,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide?
4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide has a molecular weight of 1728.91 g/mol, XLogP of 18.43, 20 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;4-(difluoromethylsulfanyl)-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-ethoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;3-methyl-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-phenylbenzamide is sourced from PubChem (CID 160864589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).