N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C26H31F3N6O3 — CID 170948545

About N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 170948545) has the molecular formula C26H31F3N6O3 and a molecular weight of 532.57 g/mol. Its IUPAC name is N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
• PubChem CID: 170948545
• Molecular Formula: C26H31F3N6O3
• Molecular Weight: 532.57 g/mol
• Exact Mass: 532.24
• IUPAC Name: N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
• SMILES: Cn1cnnc1CC(C)(C)c1cccc(NC(=O)c2cc(CN3CCOCC3)cn(CC(F)(F)F)c2=O)c1
• InChI: InChI=1S/C26H31F3N6O3/c1-25(2,13-22-32-30-17-33(22)3)19-5-4-6-20(12-19)31-23(36)21-11-18(14-34-7-9-38-10-8-34)15-35(24(21)37)16-26(27,28)29/h4-6,11-12,15,17H,7-10,13-14,16H2,1-3H3,(H,31,36)
• InChIKey: ZWKLASKPJDFPTJ-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.57
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

The IUPAC name of N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 170948545) is N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cn1cnnc1CC(C)(C)c1cccc(NC(=O)c2cc(CN3CCOCC3)cn(CC(F)(F)F)c2=O)c1.

What is the InChIKey of N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

The InChIKey is ZWKLASKPJDFPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N6O3/c1-25(2,13-22-32-30-17-33(22)3)19-5-4-6-20(12-19)31-23(36)21-11-18(14-34-7-9-38-10-8-34)15-35(24(21)37)16-26(27,28)29/h4-6,11-12,15,17H,7-10,13-14,16H2,1-3H3,(H,31,36).

What are the key properties of N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?

N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 532.57 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-5-(morpholin-4-ylmethyl)-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 170948545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).