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

C23H26N6O3S — CID 170324410

IUPAC6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc(CS(C)(=O)=O)nc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C23H26N6O3S/c1-15-20(12-27-23-22(15)24-6-8-32-23)29-7-5-16-10-26-21(9-17(16)13-29)28-18-3-4-19(25-11-18)14-33(2,30)31/h3-4,9-12,24H,5-8,13-14H2,1-2H3,(H,26,28)
InChIKeyZGCWOGWDLHQIFZ-UHFFFAOYSA-N
MW466.57 g/mol
LogP2.84
Rot. Bonds5

About 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]-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-[6-(methylsulfonylmethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine (PubChem CID 170324410) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]-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-[6-(methylsulfonylmethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine
PubChem CID170324410
Molecular FormulaC23H26N6O3S
Molecular Weight466.57 g/mol
Exact Mass466.18
IUPAC Name6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine
SMILESCc1c(N2CCc3cnc(Nc4ccc(CS(C)(=O)=O)nc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C23H26N6O3S/c1-15-20(12-27-23-22(15)24-6-8-32-23)29-7-5-16-10-26-21(9-17(16)13-29)28-18-3-4-19(25-11-18)14-33(2,30)31/h3-4,9-12,24H,5-8,13-14H2,1-2H3,(H,26,28)
InChIKeyZGCWOGWDLHQIFZ-UHFFFAOYSA-N
XLogP2.84
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]-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-[6-(methylsulfonylmethyl)-3-pyridinyl]-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-[6-(methylsulfonylmethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine (CID 170324410) is 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]-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-[6-(methylsulfonylmethyl)-3-pyridinyl]-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-[6-(methylsulfonylmethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine is Cc1c(N2CCc3cnc(Nc4ccc(CS(C)(=O)=O)nc4)cc3C2)cnc2c1NCCO2.
What is the InChIKey of 6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(methylsulfonylmethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
The InChIKey is ZGCWOGWDLHQIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-15-20(12-27-23-22(15)24-6-8-32-23)29-7-5-16-10-26-21(9-17(16)13-29)28-18-3-4-19(25-11-18)14-33(2,30)31/h3-4,9-12,24H,5-8,13-14H2,1-2H3,(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-[6-(methylsulfonylmethyl)-3-pyridinyl]-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-[6-(methylsulfonylmethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine has a molecular weight of 466.57 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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-[6-(methylsulfonylmethyl)-3-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridin-3-amine is sourced from PubChem (CID 170324410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).