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

C20H20F5N5O4 — CID 118936386

IUPAC[5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
SMILESCc1cc(OCF)cnc1OC(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1
InChIInChI=1S/C20H20F5N5O4/c1-10-6-11(32-9-21)7-27-15(10)34-17(31)29-13-5-4-12(22)14(28-13)18(2)8-33-19(3,16(26)30-18)20(23,24)25/h4-7H,8-9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1
InChIKeyDFNKSPCYBYWASK-RBUKOAKNSA-N
MW489.40 g/mol
LogP3.76
Rot. Bonds5

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

[5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate (PubChem CID 118936386) has the molecular formula C20H20F5N5O4 and a molecular weight of 489.40 g/mol. Its IUPAC name is [5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(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-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
PubChem CID118936386
Molecular FormulaC20H20F5N5O4
Molecular Weight489.40 g/mol
Exact Mass489.14
IUPAC Name[5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate
SMILESCc1cc(OCF)cnc1OC(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1
InChIInChI=1S/C20H20F5N5O4/c1-10-6-11(32-9-21)7-27-15(10)34-17(31)29-13-5-4-12(22)14(28-13)18(2)8-33-19(3,16(26)30-18)20(23,24)25/h4-7H,8-9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1
InChIKeyDFNKSPCYBYWASK-RBUKOAKNSA-N
XLogP3.76
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(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-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate (CID 118936386) is [5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(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-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(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-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate is Cc1cc(OCF)cnc1OC(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1.
What is the InChIKey of [5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate?
The InChIKey is DFNKSPCYBYWASK-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H20F5N5O4/c1-10-6-11(32-9-21)7-27-15(10)34-17(31)29-13-5-4-12(22)14(28-13)18(2)8-33-19(3,16(26)30-18)20(23,24)25/h4-7H,8-9H2,1-3H3,(H2,26,30)(H,28,29,31)/t18-,19+/m0/s1.
What are the key properties of [5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]carbamate?
[5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(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 489.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(fluoromethoxy)-3-methyl-2-pyridinyl] N-[6-[(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 118936386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).