[5-(difluoromethoxy)-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

C20H19F6N5O4 — CID 118936441

IUPAC[5-(difluoromethoxy)-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(OC(F)F)cnc1OC(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1
InChIInChI=1S/C20H19F6N5O4/c1-9-6-10(34-16(22)23)7-28-14(9)35-17(32)30-12-5-4-11(21)13(29-12)18(2)8-33-19(3,15(27)31-18)20(24,25)26/h4-7,16H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1
InChIKeyXXNAPOPBAJAOBH-RBUKOAKNSA-N
MW507.39 g/mol
LogP4.06
Rot. Bonds5

About [5-(difluoromethoxy)-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-(difluoromethoxy)-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 118936441) has the molecular formula C20H19F6N5O4 and a molecular weight of 507.39 g/mol. Its IUPAC name is [5-(difluoromethoxy)-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-(difluoromethoxy)-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 CID118936441
Molecular FormulaC20H19F6N5O4
Molecular Weight507.39 g/mol
Exact Mass507.13
IUPAC Name[5-(difluoromethoxy)-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(OC(F)F)cnc1OC(=O)Nc1ccc(F)c([C@]2(C)CO[C@@](C)(C(F)(F)F)C(N)=N2)n1
InChIInChI=1S/C20H19F6N5O4/c1-9-6-10(34-16(22)23)7-28-14(9)35-17(32)30-12-5-4-11(21)13(29-12)18(2)8-33-19(3,15(27)31-18)20(24,25)26/h4-7,16H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1
InChIKeyXXNAPOPBAJAOBH-RBUKOAKNSA-N
XLogP4.06
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [5-(difluoromethoxy)-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethoxy)-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-(difluoromethoxy)-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 118936441) is [5-(difluoromethoxy)-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-(difluoromethoxy)-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-(difluoromethoxy)-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(OC(F)F)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-(difluoromethoxy)-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 XXNAPOPBAJAOBH-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H19F6N5O4/c1-9-6-10(34-16(22)23)7-28-14(9)35-17(32)30-12-5-4-11(21)13(29-12)18(2)8-33-19(3,15(27)31-18)20(24,25)26/h4-7,16H,8H2,1-3H3,(H2,27,31)(H,29,30,32)/t18-,19+/m0/s1.
What are the key properties of [5-(difluoromethoxy)-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-(difluoromethoxy)-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 507.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethoxy)-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 118936441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).