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

C16H14F5N7O2 — CID 71273961

IUPAC3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncc(C(F)F)nc3N)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C16H14F5N7O2/c1-15(16(20,21)5-30-14(23)28-15)10-6(17)2-3-8(26-10)27-13(29)9-12(22)25-7(4-24-9)11(18)19/h2-4,11H,5H2,1H3,(H2,22,25)(H2,23,28)(H,26,27,29)/t15-/m1/s1
InChIKeyVJQYWRACFCYUPR-OAHLLOKOSA-N
MW431.33 g/mol
LogP1.98
Rot. Bonds4

About 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)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-(difluoromethyl)pyrazine-2-carboxamide (PubChem CID 71273961) has the molecular formula C16H14F5N7O2 and a molecular weight of 431.33 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-(difluoromethyl)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-(difluoromethyl)pyrazine-2-carboxamide
PubChem CID71273961
Molecular FormulaC16H14F5N7O2
Molecular Weight431.33 g/mol
Exact Mass431.11
IUPAC Name3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)pyrazine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncc(C(F)F)nc3N)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C16H14F5N7O2/c1-15(16(20,21)5-30-14(23)28-15)10-6(17)2-3-8(26-10)27-13(29)9-12(22)25-7(4-24-9)11(18)19/h2-4,11H,5H2,1H3,(H2,22,25)(H2,23,28)(H,26,27,29)/t15-/m1/s1
InChIKeyVJQYWRACFCYUPR-OAHLLOKOSA-N
XLogP1.98
TPSA141.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)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-(difluoromethyl)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-(difluoromethyl)pyrazine-2-carboxamide (CID 71273961) is 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(difluoromethyl)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-(difluoromethyl)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-(difluoromethyl)pyrazine-2-carboxamide is C[C@]1(c2nc(NC(=O)c3ncc(C(F)F)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-(difluoromethyl)pyrazine-2-carboxamide?
The InChIKey is VJQYWRACFCYUPR-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14F5N7O2/c1-15(16(20,21)5-30-14(23)28-15)10-6(17)2-3-8(26-10)27-13(29)9-12(22)25-7(4-24-9)11(18)19/h2-4,11H,5H2,1H3,(H2,22,25)(H2,23,28)(H,26,27,29)/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-(difluoromethyl)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-(difluoromethyl)pyrazine-2-carboxamide has a molecular weight of 431.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 8 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-(difluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 71273961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).