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

C26H31N5O4S — CID 170324560

IUPACN-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine
SMILESCOCCS(=O)(=O)Cc1ccc(Nc2cc3c(cn2)CCN(c2cnc4c(c2C)NCCO4)C3)cc1
InChIInChI=1S/C26H31N5O4S/c1-18-23(15-29-26-25(18)27-8-10-35-26)31-9-7-20-14-28-24(13-21(20)16-31)30-22-5-3-19(4-6-22)17-36(32,33)12-11-34-2/h3-6,13-15,27H,7-12,16-17H2,1-2H3,(H,28,30)
InChIKeyRAXMQYFCZXRXIB-UHFFFAOYSA-N
MW509.63 g/mol
LogP3.46
Rot. Bonds8

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

N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine (PubChem CID 170324560) has the molecular formula C26H31N5O4S and a molecular weight of 509.63 g/mol. Its IUPAC name is N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine.

Molecular Properties

Compound NameN-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine
PubChem CID170324560
Molecular FormulaC26H31N5O4S
Molecular Weight509.63 g/mol
Exact Mass509.21
IUPAC NameN-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine
SMILESCOCCS(=O)(=O)Cc1ccc(Nc2cc3c(cn2)CCN(c2cnc4c(c2C)NCCO4)C3)cc1
InChIInChI=1S/C26H31N5O4S/c1-18-23(15-29-26-25(18)27-8-10-35-26)31-9-7-20-14-28-24(13-21(20)16-31)30-22-5-3-19(4-6-22)17-36(32,33)12-11-34-2/h3-6,13-15,27H,7-12,16-17H2,1-2H3,(H,28,30)
InChIKeyRAXMQYFCZXRXIB-UHFFFAOYSA-N
XLogP3.46
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
The IUPAC name of N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine (CID 170324560) is N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine.
What is the SMILES notation for N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
The canonical SMILES for N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine is COCCS(=O)(=O)Cc1ccc(Nc2cc3c(cn2)CCN(c2cnc4c(c2C)NCCO4)C3)cc1.
What is the InChIKey of N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
The InChIKey is RAXMQYFCZXRXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4S/c1-18-23(15-29-26-25(18)27-8-10-35-26)31-9-7-20-14-28-24(13-21(20)16-31)30-22-5-3-19(4-6-22)17-36(32,33)12-11-34-2/h3-6,13-15,27H,7-12,16-17H2,1-2H3,(H,28,30).
What are the key properties of N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine?
N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine has a molecular weight of 509.63 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethylsulfonylmethyl)phenyl]-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-7,8-dihydro-5H-2,6-naphthyridin-3-amine is sourced from PubChem (CID 170324560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).