N-[4-[(2R)-1,1-dioxothiolan-2-yl]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

C26H29N5O3S — CID 170324162

IUPACN-[4-[(2R)-1,1-dioxothiolan-2-yl]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
SMILESCc1c(N2CCc3cnc(Nc4ccc([C@H]5CCCS5(=O)=O)cc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C26H29N5O3S/c1-17-22(15-29-26-25(17)27-9-11-34-26)31-10-8-19-14-28-24(13-20(19)16-31)30-21-6-4-18(5-7-21)23-3-2-12-35(23,32)33/h4-7,13-15,23,27H,2-3,8-12,16H2,1H3,(H,28,30)/t23-/m1/s1
InChIKeyMWVBZSICEHHHIL-HSZRJFAPSA-N
MW491.62 g/mol
LogP4.15
Rot. Bonds4

About N-[4-[(2R)-1,1-dioxothiolan-2-yl]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-[(2R)-1,1-dioxothiolan-2-yl]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 170324162) has the molecular formula C26H29N5O3S and a molecular weight of 491.62 g/mol. Its IUPAC name is N-[4-[(2R)-1,1-dioxothiolan-2-yl]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-[(2R)-1,1-dioxothiolan-2-yl]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 CID170324162
Molecular FormulaC26H29N5O3S
Molecular Weight491.62 g/mol
Exact Mass491.20
IUPAC NameN-[4-[(2R)-1,1-dioxothiolan-2-yl]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
SMILESCc1c(N2CCc3cnc(Nc4ccc([C@H]5CCCS5(=O)=O)cc4)cc3C2)cnc2c1NCCO2
InChIInChI=1S/C26H29N5O3S/c1-17-22(15-29-26-25(17)27-9-11-34-26)31-10-8-19-14-28-24(13-20(19)16-31)30-21-6-4-18(5-7-21)23-3-2-12-35(23,32)33/h4-7,13-15,23,27H,2-3,8-12,16H2,1H3,(H,28,30)/t23-/m1/s1
InChIKeyMWVBZSICEHHHIL-HSZRJFAPSA-N
XLogP4.15
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[(2R)-1,1-dioxothiolan-2-yl]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-[(2R)-1,1-dioxothiolan-2-yl]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-[(2R)-1,1-dioxothiolan-2-yl]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 170324162) is N-[4-[(2R)-1,1-dioxothiolan-2-yl]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-[(2R)-1,1-dioxothiolan-2-yl]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-[(2R)-1,1-dioxothiolan-2-yl]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 Cc1c(N2CCc3cnc(Nc4ccc([C@H]5CCCS5(=O)=O)cc4)cc3C2)cnc2c1NCCO2.
What is the InChIKey of N-[4-[(2R)-1,1-dioxothiolan-2-yl]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 MWVBZSICEHHHIL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29N5O3S/c1-17-22(15-29-26-25(17)27-9-11-34-26)31-10-8-19-14-28-24(13-20(19)16-31)30-21-6-4-18(5-7-21)23-3-2-12-35(23,32)33/h4-7,13-15,23,27H,2-3,8-12,16H2,1H3,(H,28,30)/t23-/m1/s1.
What are the key properties of N-[4-[(2R)-1,1-dioxothiolan-2-yl]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-[(2R)-1,1-dioxothiolan-2-yl]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 491.62 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-1,1-dioxothiolan-2-yl]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 170324162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).