6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile

C19H13F6N5O2 — CID 160698396

About 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile

6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile (PubChem CID 160698396) has the molecular formula C19H13F6N5O2 and a molecular weight of 457.33 g/mol. Its IUPAC name is 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile
• PubChem CID: 160698396
• Molecular Formula: C19H13F6N5O2
• Molecular Weight: 457.33 g/mol
• Exact Mass: 457.10
• IUPAC Name: 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile
• SMILES: C[C@]1(c2nc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OC(C(F)(F)F)C1(F)F
• InChI: InChI=1S/C19H13F6N5O2/c1-17(18(21,22)15(19(23,24)25)32-16(27)30-17)14-11(20)4-3-10(29-14)6-13(31)12-5-2-9(7-26)8-28-12/h2-5,8,15H,6H2,1H3,(H2,27,30)/t15?,17-/m1/s1
• InChIKey: RQHDUYUCQLGPCB-OMOCHNIRSA-N
• XLogP: 3.04
• TPSA: 114.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.33
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile?

The IUPAC name of 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile (CID 160698396) is 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile?

The canonical SMILES for 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile is C[C@]1(c2nc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)OC(C(F)(F)F)C1(F)F.

What is the InChIKey of 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile?

The InChIKey is RQHDUYUCQLGPCB-OMOCHNIRSA-N. The full InChI is InChI=1S/C19H13F6N5O2/c1-17(18(21,22)15(19(23,24)25)32-16(27)30-17)14-11(20)4-3-10(29-14)6-13(31)12-5-2-9(7-26)8-28-12/h2-5,8,15H,6H2,1H3,(H2,27,30)/t15?,17-/m1/s1.

What are the key properties of 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile?

6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile has a molecular weight of 457.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6-(trifluoromethyl)-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]acetyl]pyridine-3-carbonitrile is sourced from PubChem (CID 160698396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).