N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide

C56H45F4N9O6 — CID 123765627

About N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 123765627) has the molecular formula C56H45F4N9O6 and a molecular weight of 1016.02 g/mol. Its IUPAC name is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
• PubChem CID: 123765627
• Molecular Formula: C56H45F4N9O6
• Molecular Weight: 1016.02 g/mol
• Exact Mass: 1015.34
• IUPAC Name: N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
• SMILES: COc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncc(C(F)(F)F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ccccn1
• InChI: InChI=1S/C21H18F3N3O.C18H14FN3O3.C17H13N3O2/c1-14-5-3-6-15(9-14)20(28)26-17-7-4-8-18(11-17)27(2)19-10-16(12-25-13-19)21(22,23)24;1-24-15-4-2-3-12(5-15)18(23)22-14-6-13(19)7-16(8-14)25-17-9-20-11-21-10-17;21-17(16-8-1-2-10-19-16)20-13-5-3-6-14(11-13)22-15-7-4-9-18-12-15/h3-13H,1-2H3,(H,26,28);2-11H,1H3,(H,22,23);1-12H,(H,20,21)
• InChIKey: AZFJGWIEMFVRME-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 182.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1016.02
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?

The IUPAC name of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide (CID 123765627) is N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide.

What is the SMILES notation for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?

The canonical SMILES for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide is COc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(N(C)c3cncc(C(F)(F)F)c3)c2)c1.O=C(Nc1cccc(Oc2cccnc2)c1)c1ccccn1.

What is the InChIKey of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?

The InChIKey is AZFJGWIEMFVRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O.C18H14FN3O3.C17H13N3O2/c1-14-5-3-6-15(9-14)20(28)26-17-7-4-8-18(11-17)27(2)19-10-16(12-25-13-19)21(22,23)24;1-24-15-4-2-3-12(5-15)18(23)22-14-6-13(19)7-16(8-14)25-17-9-20-11-21-10-17;21-17(16-8-1-2-10-19-16)20-13-5-3-6-14(11-13)22-15-7-4-9-18-12-15/h3-13H,1-2H3,(H,26,28);2-11H,1H3,(H,22,23);1-12H,(H,20,21).

What are the key properties of N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?

N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 1016.02 g/mol, XLogP of 12.62, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methoxybenzamide;3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 123765627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).