(5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate

C20H18F4N6O3 — CID 118936197

About (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate

(5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate (PubChem CID 118936197) has the molecular formula C20H18F4N6O3 and a molecular weight of 466.40 g/mol. Its IUPAC name is (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
• PubChem CID: 118936197
• Molecular Formula: C20H18F4N6O3
• Molecular Weight: 466.40 g/mol
• Exact Mass: 466.14
• IUPAC Name: (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
• SMILES: Cc1cc(C#N)cnc1OC(=O)Nc1cc([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)c(F)cn1
• InChI: InChI=1S/C20H18F4N6O3/c1-10-4-11(6-25)7-28-15(10)33-17(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,16(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1
• InChIKey: MLSQPOYROFPAJN-RBUKOAKNSA-N
• XLogP: 3.33
• TPSA: 135.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.40
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate?

The IUPAC name of (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate (CID 118936197) is (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate.

What is the SMILES notation for (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate?

The canonical SMILES for (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate is Cc1cc(C#N)cnc1OC(=O)Nc1cc([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)c(F)cn1.

What is the InChIKey of (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate?

The InChIKey is MLSQPOYROFPAJN-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H18F4N6O3/c1-10-4-11(6-25)7-28-15(10)33-17(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,16(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1.

What are the key properties of (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate?

(5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate has a molecular weight of 466.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-cyano-3-methyl-2-pyridinyl) N-[4-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate is sourced from PubChem (CID 118936197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).