6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine

C24H27N5O3S — CID 170324492

IUPAC6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C24H27N5O3S/c1-16-21(13-27-24-23(16)25-8-10-32-24)29-9-7-18-12-26-22(11-19(18)14-29)28-20-5-3-17(4-6-20)15-33(2,30)31/h3-6,11-13,25H,7-10,14-15H2,1-2H3,(H,26,28)
InChIKeyYKNFGXJSNWJTKL-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.44
Rot. Bonds5

About 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine

6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine (PubChem CID 170324492) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine
PubChem CID170324492
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Name6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C24H27N5O3S/c1-16-21(13-27-24-23(16)25-8-10-32-24)29-9-7-18-12-26-22(11-19(18)14-29)28-20-5-3-17(4-6-20)15-33(2,30)31/h3-6,11-13,25H,7-10,14-15H2,1-2H3,(H,26,28)
InChIKeyYKNFGXJSNWJTKL-UHFFFAOYSA-N
XLogP3.44
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
The IUPAC name of 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine (CID 170324492) is 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine.
What is the SMILES notation for 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
The canonical SMILES for 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine is Cc1c(N2CCc3cnc(Nc4ccc(CS(C)(=O)=O)cc4)cc3C2)cnc2c1NCCO2.
What is the InChIKey of 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
The InChIKey is YKNFGXJSNWJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-16-21(13-27-24-23(16)25-8-10-32-24)29-9-7-18-12-26-22(11-19(18)14-29)28-20-5-3-17(4-6-20)15-33(2,30)31/h3-6,11-13,25H,7-10,14-15H2,1-2H3,(H,26,28).
What are the key properties of 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine has a molecular weight of 465.58 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[4-(methylsulfonylmethyl)phenyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine is sourced from PubChem (CID 170324492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).