N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C18H20F4N4O2 — CID 123638962

About N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 123638962) has the molecular formula C18H20F4N4O2 and a molecular weight of 400.38 g/mol. Its IUPAC name is N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 123638962
• Molecular Formula: C18H20F4N4O2
• Molecular Weight: 400.38 g/mol
• Exact Mass: 400.15
• IUPAC Name: N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: CC1(c2cc(NC(=O)N3CC=CCC3)ccc2F)CC(C(F)(F)F)OC(N)=N1
• InChI: InChI=1S/C18H20F4N4O2/c1-17(10-14(18(20,21)22)28-15(23)25-17)12-9-11(5-6-13(12)19)24-16(27)26-7-3-2-4-8-26/h2-3,5-6,9,14H,4,7-8,10H2,1H3,(H2,23,25)(H,24,27)
• InChIKey: FUSXNZWCAWAAIL-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 79.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.38
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 123638962) is N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC1(c2cc(NC(=O)N3CC=CCC3)ccc2F)CC(C(F)(F)F)OC(N)=N1.

What is the InChIKey of N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is FUSXNZWCAWAAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N4O2/c1-17(10-14(18(20,21)22)28-15(23)25-17)12-9-11(5-6-13(12)19)24-16(27)26-7-3-2-4-8-26/h2-3,5-6,9,14H,4,7-8,10H2,1H3,(H2,23,25)(H,24,27).

What are the key properties of N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?

N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 400.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 123638962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).