3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide

C16H15F4N7O3 — CID 71273969

IUPAC3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncc(OCF)nc3N)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C16H15F4N7O3/c1-15(16(19,20)5-29-14(22)27-15)11-7(18)2-3-8(24-11)25-13(28)10-12(21)26-9(4-23-10)30-6-17/h2-4H,5-6H2,1H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t15-/m1/s1
InChIKeyFMYPBFZNJZIDKT-OAHLLOKOSA-N
MW429.33 g/mol
LogP1.35
Rot. Bonds5

About 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide

3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide (PubChem CID 71273969) has the molecular formula C16H15F4N7O3 and a molecular weight of 429.33 g/mol. Its IUPAC name is 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
PubChem CID71273969
Molecular FormulaC16H15F4N7O3
Molecular Weight429.33 g/mol
Exact Mass429.12
IUPAC Name3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncc(OCF)nc3N)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C16H15F4N7O3/c1-15(16(19,20)5-29-14(22)27-15)11-7(18)2-3-8(24-11)25-13(28)10-12(21)26-9(4-23-10)30-6-17/h2-4H,5-6H2,1H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t15-/m1/s1
InChIKeyFMYPBFZNJZIDKT-OAHLLOKOSA-N
XLogP1.35
TPSA150.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide (CID 71273969) is 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide is C[C@]1(c2nc(NC(=O)c3ncc(OCF)nc3N)ccc2F)N=C(N)OCC1(F)F.
What is the InChIKey of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide?
The InChIKey is FMYPBFZNJZIDKT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15F4N7O3/c1-15(16(19,20)5-29-14(22)27-15)11-7(18)2-3-8(24-11)25-13(28)10-12(21)26-9(4-23-10)30-6-17/h2-4H,5-6H2,1H3,(H2,21,26)(H2,22,27)(H,24,25,28)/t15-/m1/s1.
What are the key properties of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide?
3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide has a molecular weight of 429.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(fluoromethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 71273969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).