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

C20H23F4N7O4 — CID 166629271

IUPAC3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide
SMILESCOCCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)c(N)n1
InChIInChI=1S/C20H23F4N7O4/c1-18(9-35-19(2,17(26)31-18)20(22,23)24)14-10(21)4-5-11(28-14)29-16(32)13-15(25)30-12(8-27-13)34-7-6-33-3/h4-5,8H,6-7,9H2,1-3H3,(H2,25,30)(H2,26,31)(H,28,29,32)/t18-,19+/m0/s1
InChIKeyJCRFLTOHIUBPBI-RBUKOAKNSA-N
MW501.44 g/mol
LogP1.79
Rot. Bonds7

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

3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide (PubChem CID 166629271) has the molecular formula C20H23F4N7O4 and a molecular weight of 501.44 g/mol. Its IUPAC name is 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide
PubChem CID166629271
Molecular FormulaC20H23F4N7O4
Molecular Weight501.44 g/mol
Exact Mass501.17
IUPAC Name3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide
SMILESCOCCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)c(N)n1
InChIInChI=1S/C20H23F4N7O4/c1-18(9-35-19(2,17(26)31-18)20(22,23)24)14-10(21)4-5-11(28-14)29-16(32)13-15(25)30-12(8-27-13)34-7-6-33-3/h4-5,8H,6-7,9H2,1-3H3,(H2,25,30)(H2,26,31)(H,28,29,32)/t18-,19+/m0/s1
InChIKeyJCRFLTOHIUBPBI-RBUKOAKNSA-N
XLogP1.79
TPSA159.86 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.44
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide (CID 166629271) is 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide is COCCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)c(N)n1.
What is the InChIKey of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide?
The InChIKey is JCRFLTOHIUBPBI-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23F4N7O4/c1-18(9-35-19(2,17(26)31-18)20(22,23)24)14-10(21)4-5-11(28-14)29-16(32)13-15(25)30-12(8-27-13)34-7-6-33-3/h4-5,8H,6-7,9H2,1-3H3,(H2,25,30)(H2,26,31)(H,28,29,32)/t18-,19+/m0/s1.
What are the key properties of 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide?
3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide has a molecular weight of 501.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoro-2-pyridinyl]-5-(2-methoxyethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 166629271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).