8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile

C19H14F2N6O — CID 139564204

IUPAC8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2c(Nc3ccc(F)c(C4CCOC(N)=N4)c3)ncc(F)c2c1
InChIInChI=1S/C19H14F2N6O/c20-14-2-1-11(6-12(14)16-3-4-28-19(23)27-16)26-18-17-13(15(21)9-25-18)5-10(7-22)8-24-17/h1-2,5-6,8-9,16H,3-4H2,(H2,23,27)(H,25,26)
InChIKeyMFLGITVPERCAIN-UHFFFAOYSA-N
MW380.36 g/mol
LogP3.30
Rot. Bonds3

About 8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile

8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile (PubChem CID 139564204) has the molecular formula C19H14F2N6O and a molecular weight of 380.36 g/mol. Its IUPAC name is 8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile
PubChem CID139564204
Molecular FormulaC19H14F2N6O
Molecular Weight380.36 g/mol
Exact Mass380.12
IUPAC Name8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2c(Nc3ccc(F)c(C4CCOC(N)=N4)c3)ncc(F)c2c1
InChIInChI=1S/C19H14F2N6O/c20-14-2-1-11(6-12(14)16-3-4-28-19(23)27-16)26-18-17-13(15(21)9-25-18)5-10(7-22)8-24-17/h1-2,5-6,8-9,16H,3-4H2,(H2,23,27)(H,25,26)
InChIKeyMFLGITVPERCAIN-UHFFFAOYSA-N
XLogP3.30
TPSA109.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4S)-4-[5-[[2-(difluoromethyl)pyrazolo[3,4-c]pyridin-7-yl]amino]-2-fluorophenyl]-5,6-dihydro-4H-1,3-oxazin-2-amine
CID 139564133
8-[3-[5-amino-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile;cyclopropane
CID 144972670
8-[[6-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]amino]-5-fluoro-1,7-naphthyridine-3-carbonitrile
CID 90373168
(5S)-5-(5-amino-2-fluorophenyl)-2,5,6,7-tetrahydro-1,4-oxazepin-3-amine
CID 163838579
4-[5-[(3-chloro-5-fluoro-1,7-naphthyridin-8-yl)amino]-2-fluorophenyl]-4-(fluoromethyl)-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-2-amine
CID 123561486
N-[3-[(6S)-2-amino-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 147235681
tert-butyl N-[4-[5-[(5-cyanopyridine-2-carbonyl)amino]-2-fluorophenyl]-4,5,6,7-tetrahydro-1,3-oxazepin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 90147582
5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile
CID 69074354
5-[5-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorophenyl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
CID 145126548
4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
CID 79728798
N-[3-[3-amino-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1,4-oxazepin-2-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 159711309
N-[3-[(4R)-6-amino-2,7,7-trimethyl-1,1-dioxo-3,4-dihydro-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 155543145

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile (CID 139564204) is 8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile is N#Cc1cnc2c(Nc3ccc(F)c(C4CCOC(N)=N4)c3)ncc(F)c2c1.
What is the InChIKey of 8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile?
The InChIKey is MFLGITVPERCAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O/c20-14-2-1-11(6-12(14)16-3-4-28-19(23)27-16)26-18-17-13(15(21)9-25-18)5-10(7-22)8-24-17/h1-2,5-6,8-9,16H,3-4H2,(H2,23,27)(H,25,26).
What are the key properties of 8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile?
8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile has a molecular weight of 380.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-amino-5,6-dihydro-4H-1,3-oxazin-4-yl)-4-fluoroanilino]-5-fluoro-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 139564204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).