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

C18H18F4N6O2 — CID 70356222

IUPACN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)cn1
InChIInChI=1S/C18H18F4N6O2/c1-9-6-25-11(7-24-9)14(29)27-12-5-4-10(19)13(26-12)16(2)8-30-17(3,15(23)28-16)18(20,21)22/h4-7H,8H2,1-3H3,(H2,23,28)(H,26,27,29)/t16-,17+/m0/s1
InChIKeyQEEWKGAHKUUMAX-DLBZAZTESA-N
MW426.37 g/mol
LogP2.50
Rot. Bonds3

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

N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide (PubChem CID 70356222) has the molecular formula C18H18F4N6O2 and a molecular weight of 426.37 g/mol. Its IUPAC name is N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide
PubChem CID70356222
Molecular FormulaC18H18F4N6O2
Molecular Weight426.37 g/mol
Exact Mass426.14
IUPAC NameN-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)cn1
InChIInChI=1S/C18H18F4N6O2/c1-9-6-25-11(7-24-9)14(29)27-12-5-4-10(19)13(26-12)16(2)8-30-17(3,15(23)28-16)18(20,21)22/h4-7H,8H2,1-3H3,(H2,23,28)(H,26,27,29)/t16-,17+/m0/s1
InChIKeyQEEWKGAHKUUMAX-DLBZAZTESA-N
XLogP2.50
TPSA115.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide (CID 70356222) is N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)cn1.
What is the InChIKey of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is QEEWKGAHKUUMAX-DLBZAZTESA-N. The full InChI is InChI=1S/C18H18F4N6O2/c1-9-6-25-11(7-24-9)14(29)27-12-5-4-10(19)13(26-12)16(2)8-30-17(3,15(23)28-16)18(20,21)22/h4-7H,8H2,1-3H3,(H2,23,28)(H,26,27,29)/t16-,17+/m0/s1.
What are the key properties of N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide?
N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 426.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 70356222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).