3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide

C49H40N12O6S — CID 123547844

About 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide

3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 123547844) has the molecular formula C49H40N12O6S and a molecular weight of 925.00 g/mol. Its IUPAC name is 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 123547844
• Molecular Formula: C49H40N12O6S
• Molecular Weight: 925.00 g/mol
• Exact Mass: 924.29
• IUPAC Name: 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide
• SMILES: Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)ncn2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)n2)c1.O=C(Nc1cncc(Oc2cncnc2)c1)c1cscn1
• InChI: InChI=1S/C19H17N3O2.C17H14N4O2.C13H9N5O2S/c1-13-5-3-6-15(11-13)19(23)22-17-7-4-8-18(21-17)24-16-10-9-14(2)20-12-16;1-12-4-2-5-13(8-12)17(22)21-15-9-16(20-11-19-15)23-14-6-3-7-18-10-14;19-13(12-6-21-8-17-12)18-9-1-10(3-14-2-9)20-11-4-15-7-16-5-11/h3-12H,1-2H3,(H,21,22,23);2-11H,1H3,(H,19,20,21,22);1-8H,(H,18,19)
• InChIKey: YDNKOBHCCPDPKL-UHFFFAOYSA-N
• XLogP: 9.74
• TPSA: 231.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.00
LogP ≤ 5	9.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 123547844) is 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1cccc(C(=O)Nc2cc(Oc3cccnc3)ncn2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C)nc3)n2)c1.O=C(Nc1cncc(Oc2cncnc2)c1)c1cscn1.

What is the InChIKey of 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?

The InChIKey is YDNKOBHCCPDPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.C17H14N4O2.C13H9N5O2S/c1-13-5-3-6-15(11-13)19(23)22-17-7-4-8-18(21-17)24-16-10-9-14(2)20-12-16;1-12-4-2-5-13(8-12)17(22)21-15-9-16(20-11-19-15)23-14-6-3-7-18-10-14;19-13(12-6-21-8-17-12)18-9-1-10(3-14-2-9)20-11-4-15-7-16-5-11/h3-12H,1-2H3,(H,21,22,23);2-11H,1H3,(H,19,20,21,22);1-8H,(H,18,19).

What are the key properties of 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide?

3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 925.00 g/mol, XLogP of 9.74, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[6-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]benzamide;3-methyl-N-(6-pyridin-3-yloxypyrimidin-4-yl)benzamide;N-(5-pyrimidin-5-yloxy-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123547844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).