N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C16H17F3N6O3 — CID 122253835

About N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 122253835) has the molecular formula C16H17F3N6O3 and a molecular weight of 398.35 g/mol. Its IUPAC name is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 122253835
• Molecular Formula: C16H17F3N6O3
• Molecular Weight: 398.35 g/mol
• Exact Mass: 398.13
• IUPAC Name: N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: COc1nc(CNC(=O)c2ccc(C(F)(F)F)nc2)nc(N2CCOCC2)n1
• InChI: InChI=1S/C16H17F3N6O3/c1-27-15-23-12(22-14(24-15)25-4-6-28-7-5-25)9-21-13(26)10-2-3-11(20-8-10)16(17,18)19/h2-3,8H,4-7,9H2,1H3,(H,21,26)
• InChIKey: VKOMTCGRWZWVTL-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.35
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 122253835) is N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is COc1nc(CNC(=O)c2ccc(C(F)(F)F)nc2)nc(N2CCOCC2)n1.

What is the InChIKey of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is VKOMTCGRWZWVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O3/c1-27-15-23-12(22-14(24-15)25-4-6-28-7-5-25)9-21-13(26)10-2-3-11(20-8-10)16(17,18)19/h2-3,8H,4-7,9H2,1H3,(H,21,26).

What are the key properties of N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?

N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 398.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 122253835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).