N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C17H15N3O6S — CID 55383083

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C1=CC=CN3CCS(=O)(=O)N=C13)OCO2
InChIInChI=1S/C17H15N3O6S/c1-10(21)12-7-14-15(26-9-25-14)8-13(12)18-17(22)11-3-2-4-20-5-6-27(23,24)19-16(11)20/h2-4,7-8H,5-6,9H2,1H3,(H,18,22)
InChIKeyBFXBYXQAEIDUQH-UHFFFAOYSA-N
MW389.39 g/mol
LogP1.05
Rot. Bonds3

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 55383083) has the molecular formula C17H15N3O6S and a molecular weight of 389.39 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID55383083
Molecular FormulaC17H15N3O6S
Molecular Weight389.39 g/mol
Exact Mass389.07
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C1=CC=CN3CCS(=O)(=O)N=C13)OCO2
InChIInChI=1S/C17H15N3O6S/c1-10(21)12-7-14-15(26-9-25-14)8-13(12)18-17(22)11-3-2-4-20-5-6-27(23,24)19-16(11)20/h2-4,7-8H,5-6,9H2,1H3,(H,18,22)
InChIKeyBFXBYXQAEIDUQH-UHFFFAOYSA-N
XLogP1.05
TPSA114.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(6-{[(diethylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)butanamide
CID 16033809
2-(8-oxo-7-tosyl-[1,3]dioxolo[4,5-g]quinolin-5(8H)-yl)-N-phenylacetamide
CID 16009327
sodium (7S)-5-[(E)-3-(dimethylamino)-3-oxoprop-1-enyl]-2-oxo-13,15-dioxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),4,10,12(16)-tetraene-8-sulfonate
CID 23678453
9-oxo-N-(2-pyrrolidin-1-ylethyl)-13,15-dioxa-2,8-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,4,6,10,12(16)-hexaene-4-carboxamide
CID 162763916
2-[7-(benzenesulfonyl)-8-oxo-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 16009364
6-[6-[(cyanomethyl)thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-(4-methoxybenzyl)hexanamide
CID 3236801
N,N-diethyl-2-[[7-[(4-methoxyphenyl)methyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]thio]acetamide
CID 4088092
N-(4-methoxybenzyl)-4-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}thio)-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]butanamide
CID 16033806
4-[6-{[2-(butylamino)-2-oxoethyl]thio}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 16033819
4-[6-{[2-(sec-butylamino)-2-oxoethyl]thio}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 16033820
6-(6-{[(Diethylcarbamoyl)methyl]sulfanyl}-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-G]quinazolin-7-YL)-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
CID 16033833
4-[6-{[2-(diethylamino)-2-oxoethyl]thio}-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 16193457

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 55383083) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CC(=O)c1cc2c(cc1NC(=O)C1=CC=CN3CCS(=O)(=O)N=C13)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is BFXBYXQAEIDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6S/c1-10(21)12-7-14-15(26-9-25-14)8-13(12)18-17(22)11-3-2-4-20-5-6-27(23,24)19-16(11)20/h2-4,7-8H,5-6,9H2,1H3,(H,18,22).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 389.39 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 55383083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).