5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide

C23H21N5O4S — CID 135984742

IUPAC5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc2ccccc2c1)c1nc(N2CCCCS2(=O)=O)c2nccnc2c1O
InChIInChI=1S/C23H21N5O4S/c29-21-18-19(25-10-9-24-18)22(28-11-3-4-12-33(28,31)32)27-20(21)23(30)26-14-15-7-8-16-5-1-2-6-17(16)13-15/h1-2,5-10,13,29H,3-4,11-12,14H2,(H,26,30)
InChIKeyVBQSOFDBXBAXFL-UHFFFAOYSA-N
MW463.52 g/mol
LogP2.74
Rot. Bonds4

About 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide

5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide (PubChem CID 135984742) has the molecular formula C23H21N5O4S and a molecular weight of 463.52 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide
PubChem CID135984742
Molecular FormulaC23H21N5O4S
Molecular Weight463.52 g/mol
Exact Mass463.13
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc2ccccc2c1)c1nc(N2CCCCS2(=O)=O)c2nccnc2c1O
InChIInChI=1S/C23H21N5O4S/c29-21-18-19(25-10-9-24-18)22(28-11-3-4-12-33(28,31)32)27-20(21)23(30)26-14-15-7-8-16-5-1-2-6-17(16)13-15/h1-2,5-10,13,29H,3-4,11-12,14H2,(H,26,30)
InChIKeyVBQSOFDBXBAXFL-UHFFFAOYSA-N
XLogP2.74
TPSA125.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(methylcarbamoyl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
CID 3013404
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide
CID 20816860
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridine-7-carboxamide
CID 10238872
5-(1,1-dioxo-1,2,5-thiadiazepan-2-yl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 10303080
N-[(3-chloro-4-methylphenyl)methyl]-2-[2-(1,1-dioxothiazinan-2-yl)phenyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
CID 54691445
5-(1,1-dioxothiazinan-2-yl)-N-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 142215488
5-(1,1-dioxothiazinan-2-yl)-7-propan-2-yl-1,6-naphthyridin-8-ol
CID 70998737
[5-(1,1-dioxothiazinan-2-yl)-7-[(4-fluorophenyl)methylcarbamoyl]-1,6-naphthyridin-8-yl] 4-methylbenzenesulfonate
CID 59983162
sodium;5-(1,1-dihydroxythiazinan-2-yl)-8-hydroxy-N-[(2-methylsulfonylphenyl)methyl]-1,6-naphthyridine-7-carboxamide;hydride
CID 173120770
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-[[2-(tetrazol-1-yl)phenyl]methyl]-1,6-naphthyridin-1-ium-7-carboxamide
CID 142808035
5-(1,1-dihydroxythiazinan-2-yl)-N-[[4-fluoro-2-[2-(methylamino)-2-oxoethyl]phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 70037780
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 41287996

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide (CID 135984742) is 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide is O=C(NCc1ccc2ccccc2c1)c1nc(N2CCCCS2(=O)=O)c2nccnc2c1O.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide?
The InChIKey is VBQSOFDBXBAXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S/c29-21-18-19(25-10-9-24-18)22(28-11-3-4-12-33(28,31)32)27-20(21)23(30)26-14-15-7-8-16-5-1-2-6-17(16)13-15/h1-2,5-10,13,29H,3-4,11-12,14H2,(H,26,30).
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide?
5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-N-(naphthalen-2-ylmethyl)pyrido[3,4-b]pyrazine-7-carboxamide is sourced from PubChem (CID 135984742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).