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

C20H15F3N6O — CID 71549952

IUPAC8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2c(Nc3ccc(F)c([C@]4(C(F)F)COCC(N)=N4)c3)nccc2c1
InChIInChI=1S/C20H15F3N6O/c21-15-2-1-13(6-14(15)20(19(22)23)10-30-9-16(25)29-20)28-18-17-12(3-4-26-18)5-11(7-24)8-27-17/h1-6,8,19H,9-10H2,(H2,25,29)(H,26,28)/t20-/m0/s1
InChIKeyAYBCGPRPLJRSKE-FQEVSTJZSA-N
MW412.38 g/mol
LogP3.23
Rot. Bonds4

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

8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile (PubChem CID 71549952) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is 8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile
PubChem CID71549952
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC Name8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2c(Nc3ccc(F)c([C@]4(C(F)F)COCC(N)=N4)c3)nccc2c1
InChIInChI=1S/C20H15F3N6O/c21-15-2-1-13(6-14(15)20(19(22)23)10-30-9-16(25)29-20)28-18-17-12(3-4-26-18)5-11(7-24)8-27-17/h1-6,8,19H,9-10H2,(H2,25,29)(H,26,28)/t20-/m0/s1
InChIKeyAYBCGPRPLJRSKE-FQEVSTJZSA-N
XLogP3.23
TPSA109.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-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

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile (CID 71549952) is 8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile is N#Cc1cnc2c(Nc3ccc(F)c([C@]4(C(F)F)COCC(N)=N4)c3)nccc2c1.
What is the InChIKey of 8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile?
The InChIKey is AYBCGPRPLJRSKE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15F3N6O/c21-15-2-1-13(6-14(15)20(19(22)23)10-30-9-16(25)29-20)28-18-17-12(3-4-26-18)5-11(7-24)8-27-17/h1-6,8,19H,9-10H2,(H2,25,29)(H,26,28)/t20-/m0/s1.
What are the key properties of 8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile?
8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile has a molecular weight of 412.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(3R)-5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 71549952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).