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

C18H13F4N5O — CID 149231299

IUPAC6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile
SMILESC[C@]1(c2nc(/C=C(\F)c3ccc(C#N)cn3)ccc2F)N=C(N)COC1(F)F
InChIInChI=1S/C18H13F4N5O/c1-17(18(21,22)28-9-15(24)27-17)16-12(19)4-3-11(26-16)6-13(20)14-5-2-10(7-23)8-25-14/h2-6,8H,9H2,1H3,(H2,24,27)/b13-6-/t17-/m1/s1
InChIKeyXKISFSYPMCLKGB-YBSJANCESA-N
MW391.33 g/mol
LogP3.15
Rot. Bonds3

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

6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile (PubChem CID 149231299) has the molecular formula C18H13F4N5O and a molecular weight of 391.33 g/mol. Its IUPAC name is 6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile
PubChem CID149231299
Molecular FormulaC18H13F4N5O
Molecular Weight391.33 g/mol
Exact Mass391.11
IUPAC Name6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile
SMILESC[C@]1(c2nc(/C=C(\F)c3ccc(C#N)cn3)ccc2F)N=C(N)COC1(F)F
InChIInChI=1S/C18H13F4N5O/c1-17(18(21,22)28-9-15(24)27-17)16-12(19)4-3-11(26-16)6-13(20)14-5-2-10(7-23)8-25-14/h2-6,8H,9H2,1H3,(H2,24,27)/b13-6-/t17-/m1/s1
InChIKeyXKISFSYPMCLKGB-YBSJANCESA-N
XLogP3.15
TPSA97.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[(Z)-2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile
CID 135126429
6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile
CID 135125833
3-amino-5-[5-[(Z)-2-(5-cyano-2-pyridinyl)-2-fluoroethenyl]-2-fluorophenyl]-7,7-difluoro-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-ene-1-carboxylic acid
CID 126524759
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
N-[6-[(4R,6R)-2-amino-4,6-dimethyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 126755346
N-[3-(5-amino-3-cyclopropyl-2-fluoro-2,6-dihydro-1,4-oxazin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 57495992
N-[6-[(1R,6R,7R)-9-amino-4,4-difluoro-7,10,10-trimethyl-1-oxo-1λ6-thia-2,8-diazabicyclo[4.4.0]deca-1,8-dien-7-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 121278451
6-[(Z)-2-[3-[(1S,5S,7S)-3-amino-5,7-dimethyl-1-(pyrrolidine-1-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile
CID 135303413
6-[(Z)-2-[3-[(1S,5S,6S)-3-amino-1-[(3S,5R)-3,5-dimethylmorpholine-4-carbonyl]-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-fluoroethenyl]pyridine-3-carbonitrile
CID 126557242
N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide
CID 107465551
N-[6-[(4S,6S)-2-amino-6-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 90375310
N-[6-[3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.2.0]oct-3-en-5-yl]-5-fluoro-2-pyridinyl]-5-cyanopyridine-2-carboxamide
CID 123709425

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile (CID 149231299) is 6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile is C[C@]1(c2nc(/C=C(\F)c3ccc(C#N)cn3)ccc2F)N=C(N)COC1(F)F.
What is the InChIKey of 6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile?
The InChIKey is XKISFSYPMCLKGB-YBSJANCESA-N. The full InChI is InChI=1S/C18H13F4N5O/c1-17(18(21,22)28-9-15(24)27-17)16-12(19)4-3-11(26-16)6-13(20)14-5-2-10(7-23)8-25-14/h2-6,8H,9H2,1H3,(H2,24,27)/b13-6-/t17-/m1/s1.
What are the key properties of 6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile?
6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile has a molecular weight of 391.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-2-[6-[(5R)-3-amino-6,6-difluoro-5-methyl-2H-1,4-oxazin-5-yl]-5-fluoro-2-pyridinyl]-1-fluoroethenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 149231299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).