2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C27H34F3N7O3 — CID 146411886

About 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 146411886) has the molecular formula C27H34F3N7O3 and a molecular weight of 561.61 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• PubChem CID: 146411886
• Molecular Formula: C27H34F3N7O3
• Molecular Weight: 561.61 g/mol
• Exact Mass: 561.27
• IUPAC Name: 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
• SMILES: COc1cc(C)c(C(C)CNC(=O)N(C)CCC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1
• InChI: InChI=1S/C27H34F3N7O3/c1-16(2)37-15-32-35-24(37)21-8-7-9-23(33-21)34-25(38)20-13-19(17(3)12-22(20)40-6)18(4)14-31-26(39)36(5)11-10-27(28,29)30/h7-9,12-13,15-16,18H,10-11,14H2,1-6H3,(H,31,39)(H,33,34,38)
• InChIKey: ZVEINIVSJKDJQN-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 114.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.61
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The IUPAC name of 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 146411886) is 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

What is the SMILES notation for 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The canonical SMILES for 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is COc1cc(C)c(C(C)CNC(=O)N(C)CCC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.

What is the InChIKey of 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

The InChIKey is ZVEINIVSJKDJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N7O3/c1-16(2)37-15-32-35-24(37)21-8-7-9-23(33-21)34-25(38)20-13-19(17(3)12-22(20)40-6)18(4)14-31-26(39)36(5)11-10-27(28,29)30/h7-9,12-13,15-16,18H,10-11,14H2,1-6H3,(H,31,39)(H,33,34,38).

What are the key properties of 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?

2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 561.61 g/mol, XLogP of 5.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-4-methyl-5-[1-[[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]propan-2-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146411886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).