N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate

C49H47F6N7O13 — CID 159746635

About N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate

N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate (PubChem CID 159746635) has the molecular formula C49H47F6N7O13 and a molecular weight of 1055.94 g/mol. Its IUPAC name is N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate.

Molecular Properties

• Compound Name: N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate
• PubChem CID: 159746635
• Molecular Formula: C49H47F6N7O13
• Molecular Weight: 1055.94 g/mol
• Exact Mass: 1055.31
• IUPAC Name: N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate
• SMILES: CCOc1c(C)ncc(Oc2ccc(OC(F)(F)F)cc2OC)c1C(=O)Nc1cc(C(=O)OC)ncc1C.CCOc1c(C)ncc(Oc2ccc(OC(F)(F)F)cc2OC)c1C(=O)Nc1cc(C(N)=O)ncc1C
• InChI: InChI=1S/C25H24F3N3O7.C24H23F3N4O6/c1-6-36-22-14(3)29-12-20(37-18-8-7-15(9-19(18)34-4)38-25(26,27)28)21(22)23(32)31-16-10-17(24(33)35-5)30-11-13(16)2;1-5-35-21-13(3)29-11-19(36-17-7-6-14(8-18(17)34-4)37-24(25,26)27)20(21)23(33)31-15-9-16(22(28)32)30-10-12(15)2/h7-12H,6H2,1-5H3,(H,30,31,32);6-11H,5H2,1-4H3,(H2,28,32)(H,30,31,33)
• InChIKey: NDCRSMVCAJWAAY-UHFFFAOYSA-N
• XLogP: 9.77
• TPSA: 252.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1055.94
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate?

The IUPAC name of N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate (CID 159746635) is N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate.

What is the SMILES notation for N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate?

The canonical SMILES for N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate is CCOc1c(C)ncc(Oc2ccc(OC(F)(F)F)cc2OC)c1C(=O)Nc1cc(C(=O)OC)ncc1C.CCOc1c(C)ncc(Oc2ccc(OC(F)(F)F)cc2OC)c1C(=O)Nc1cc(C(N)=O)ncc1C.

What is the InChIKey of N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate?

The InChIKey is NDCRSMVCAJWAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O7.C24H23F3N4O6/c1-6-36-22-14(3)29-12-20(37-18-8-7-15(9-19(18)34-4)38-25(26,27)28)21(22)23(32)31-16-10-17(24(33)35-5)30-11-13(16)2;1-5-35-21-13(3)29-11-19(36-17-7-6-14(8-18(17)34-4)37-24(25,26)27)20(21)23(33)31-15-9-16(22(28)32)30-10-12(15)2/h7-12H,6H2,1-5H3,(H,30,31,32);6-11H,5H2,1-4H3,(H2,28,32)(H,30,31,33).

What are the key properties of N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate?

N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate has a molecular weight of 1055.94 g/mol, XLogP of 9.77, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-carbamoyl-5-methyl-4-pyridinyl)-3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carboxamide;methyl 4-[[3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenoxy]-2-methylpyridine-4-carbonyl]amino]-5-methylpyridine-2-carboxylate is sourced from PubChem (CID 159746635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).