N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate

C80H65ClF11N15O14 — CID 157381204

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate

N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate (PubChem CID 157381204) has the molecular formula C80H65ClF11N15O14 and a molecular weight of 1704.92 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate
• PubChem CID: 157381204
• Molecular Formula: C80H65ClF11N15O14
• Molecular Weight: 1704.92 g/mol
• Exact Mass: 1703.43
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate
• SMILES: CCOc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.COC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.O=C(Nc1ccc(CC(F)(F)F)cc1)c1cnc(OCCO)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(OC2CCOCC2)c(-c2cncnc2)c1
• InChI: InChI=1S/C22H19ClF2N4O4.C20H14F3N3O4.C19H17F3N4O3.C19H15F3N4O3/c23-22(24,25)33-18-3-1-16(2-4-18)29-20(30)14-9-19(15-10-26-13-27-11-15)21(28-12-14)32-17-5-7-31-8-6-17;1-29-19(28)16-7-2-12(8-17(16)13-9-24-11-25-10-13)18(27)26-14-3-5-15(6-4-14)30-20(21,22)23;20-19(21,22)10-12-1-3-14(4-2-12)25-17(28)13-9-15(16-5-6-24-26-16)18(23-11-13)29-8-7-27;1-2-28-18-16(13-8-23-11-24-9-13)7-12(10-25-18)17(27)26-14-3-5-15(6-4-14)29-19(20,21)22/h1-4,9-13,17H,5-8H2,(H,29,30);2-11H,1H3,(H,26,27);1-6,9,11,27H,7-8,10H2,(H,24,26)(H,25,28);3-11H,2H2,1H3,(H,26,27)
• InChIKey: BKXDUPKFCFZALJ-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 372.23 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1704.92
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate (CID 157381204) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate is CCOc1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.COC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1.O=C(Nc1ccc(CC(F)(F)F)cc1)c1cnc(OCCO)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(OC2CCOCC2)c(-c2cncnc2)c1.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate?

The InChIKey is BKXDUPKFCFZALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O4.C20H14F3N3O4.C19H17F3N4O3.C19H15F3N4O3/c23-22(24,25)33-18-3-1-16(2-4-18)29-20(30)14-9-19(15-10-26-13-27-11-15)21(28-12-14)32-17-5-7-31-8-6-17;1-29-19(28)16-7-2-12(8-17(16)13-9-24-11-25-10-13)18(27)26-14-3-5-15(6-4-14)30-20(21,22)23;20-19(21,22)10-12-1-3-14(4-2-12)25-17(28)13-9-15(16-5-6-24-26-16)18(23-11-13)29-8-7-27;1-2-28-18-16(13-8-23-11-24-9-13)7-12(10-25-18)17(27)26-14-3-5-15(6-4-14)29-19(20,21)22/h1-4,9-13,17H,5-8H2,(H,29,30);2-11H,1H3,(H,26,27);1-6,9,11,27H,7-8,10H2,(H,24,26)(H,25,28);3-11H,2H2,1H3,(H,26,27).

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate?

N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate has a molecular weight of 1704.92 g/mol, XLogP of 15.89, 25 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-(oxan-4-yloxy)-5-pyrimidin-5-ylpyridine-3-carboxamide;6-ethoxy-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(2-hydroxyethoxy)-5-(1H-pyrazol-5-yl)-N-[4-(2,2,2-trifluoroethyl)phenyl]pyridine-3-carboxamide;methyl 2-pyrimidin-5-yl-4-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzoate is sourced from PubChem (CID 157381204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).