5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile

C19H14F4N4O — CID 71059889

IUPAC5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3c(c2)[C@@]2(CCC3(F)F)N=C(N)OCC2(F)F)c1
InChIInChI=1S/C19H14F4N4O/c20-18(21)4-3-17(19(22,23)10-28-16(25)27-17)15-6-12(1-2-14(15)18)13-5-11(7-24)8-26-9-13/h1-2,5-6,8-9H,3-4,10H2,(H2,25,27)/t17-/m1/s1
InChIKeyXIHQFNCQSJOBBZ-QGZVFWFLSA-N
MW390.34 g/mol
LogP3.68
Rot. Bonds1

About 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile

5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile (PubChem CID 71059889) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile
PubChem CID71059889
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC Name5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2ccc3c(c2)[C@@]2(CCC3(F)F)N=C(N)OCC2(F)F)c1
InChIInChI=1S/C19H14F4N4O/c20-18(21)4-3-17(19(22,23)10-28-16(25)27-17)15-6-12(1-2-14(15)18)13-5-11(7-24)8-26-9-13/h1-2,5-6,8-9H,3-4,10H2,(H2,25,27)/t17-/m1/s1
InChIKeyXIHQFNCQSJOBBZ-QGZVFWFLSA-N
XLogP3.68
TPSA84.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-1,1,5',5'-tetrafluoro-6-(5-isocyano-3-pyridinyl)spiro[2,3-dihydronaphthalene-4,4'-6H-1,3-oxazine]-2'-amine
CID 123331801
5-[(4R)-3'-amino-6',6'-difluorospiro[2,3-dihydrochromene-4,5'-2,7-dihydro-1,4-oxazepine]-6-yl]pyridine-3-carbonitrile
CID 71617969
5',5'-difluoro-5-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-2'-amine
CID 71059375
5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine
CID 71059678
5-[3-[(4aR,7aR)-2-amino-4a-methyl-4,5,6,7-tetrahydrocyclopenta[d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-3-carbonitrile
CID 143834826
5-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]pyridine-3-carbonitrile
CID 86279218
5-[(8aR,9R)-2'-amino-7-propan-2-yloxyspiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-5H-1,3-oxazole]-2-yl]pyridine-3-carbonitrile
CID 67950064
5-[(7S,8aR)-2'-amino-7-cyclobutyloxyspiro[5,6,7,8,8a,10a-hexahydroxanthene-9,4'-5H-1,3-oxazole]-2-yl]pyridine-3-carbonitrile
CID 67950065
N-[(3R)-2'-amino-5',5'-difluorospiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-5-yl]-5-cyanopyridine-2-carboxamide
CID 71059402
5-[(4S)-2-aminospiro[5H-1,3-oxazole-4,6'-7,8-dihydro-5H-naphthalene]-1'-yl]pyridine-3-carbonitrile
CID 70228414
5-[3-[(5R,6R)-2-amino-5-fluoro-6-methyl-4,5-dihydro-1,3-oxazin-6-yl]-4-fluorophenyl]pyridine-3-carbonitrile
CID 71014867
5-[3-[(8R)-10-amino-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]pyridine-3-carbonitrile
CID 71532119

Frequently Asked Questions

What is the IUPAC name of 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile (CID 71059889) is 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile is N#Cc1cncc(-c2ccc3c(c2)[C@@]2(CCC3(F)F)N=C(N)OCC2(F)F)c1.
What is the InChIKey of 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile?
The InChIKey is XIHQFNCQSJOBBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H14F4N4O/c20-18(21)4-3-17(19(22,23)10-28-16(25)27-17)15-6-12(1-2-14(15)18)13-5-11(7-24)8-26-9-13/h1-2,5-6,8-9H,3-4,10H2,(H2,25,27)/t17-/m1/s1.
What are the key properties of 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile?
5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile has a molecular weight of 390.34 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8R)-2'-amino-5,5,5',5'-tetrafluorospiro[6,7-dihydronaphthalene-8,4'-6H-1,3-oxazine]-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 71059889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).