N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide

C94H78F2N12O11 — CID 161093395

About N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide

N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 161093395) has the molecular formula C94H78F2N12O11 and a molecular weight of 1589.73 g/mol. Its IUPAC name is N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
• PubChem CID: 161093395
• Molecular Formula: C94H78F2N12O11
• Molecular Weight: 1589.73 g/mol
• Exact Mass: 1588.59
• IUPAC Name: N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
• SMILES: COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1
• InChI: InChI=1S/C20H18N2O2.C19H16N2O3.C19H16N2O2.C18H13F2N3O2.C18H15N3O2/c1-14-5-3-6-16(11-14)20(23)22-17-7-4-8-18(12-17)24-19-10-9-15(2)21-13-19;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;1-14-5-2-6-15(11-14)19(22)21-16-7-3-8-17(12-16)23-18-9-4-10-20-13-18;1-11-3-2-4-12(5-11)18(24)23-13-6-15(19)17(20)16(7-13)25-14-8-21-10-22-9-14;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h3-13H,1-2H3,(H,22,23);2-13H,1H3,(H,21,22);2-13H,1H3,(H,21,22);2-10H,1H3,(H,23,24);2-12H,1H3,(H,21,22)
• InChIKey: UHLYAVKNUPDRJG-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 291.11 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1589.73
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?

The IUPAC name of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide (CID 161093395) is N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide.

What is the SMILES notation for N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?

The canonical SMILES for N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide is COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.

What is the InChIKey of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?

The InChIKey is UHLYAVKNUPDRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2.C19H16N2O3.C19H16N2O2.C18H13F2N3O2.C18H15N3O2/c1-14-5-3-6-16(11-14)20(23)22-17-7-4-8-18(12-17)24-19-10-9-15(2)21-13-19;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;1-14-5-2-6-15(11-14)19(22)21-16-7-3-8-17(12-16)23-18-9-4-10-20-13-18;1-11-3-2-4-12(5-11)18(24)23-13-6-15(19)17(20)16(7-13)25-14-8-21-10-22-9-14;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h3-13H,1-2H3,(H,22,23);2-13H,1H3,(H,21,22);2-13H,1H3,(H,21,22);2-10H,1H3,(H,23,24);2-12H,1H3,(H,21,22).

What are the key properties of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?

N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 1589.73 g/mol, XLogP of 21.25, 21 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-[3-[(6-methyl-3-pyridinyl)oxy]phenyl]benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 161093395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).