N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C19H22N4O4S — CID 55655477

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCCN(Cc1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1)C(C)=O
InChIInChI=1S/C19H22N4O4S/c1-3-22(14(2)24)13-15-6-4-7-16(12-15)20-19(25)17-8-5-9-23-10-11-28(26,27)21-18(17)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,25)
InChIKeyDDYNRYFHERXKJG-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.49
Rot. Bonds5

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 55655477) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID55655477
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCCN(Cc1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1)C(C)=O
InChIInChI=1S/C19H22N4O4S/c1-3-22(14(2)24)13-15-6-4-7-16(12-15)20-19(25)17-8-5-9-23-10-11-28(26,27)21-18(17)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,25)
InChIKeyDDYNRYFHERXKJG-UHFFFAOYSA-N
XLogP1.49
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55817286
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55383479
N-(4-ethoxyphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777025
N-[4-(cyclopropanecarbonylamino)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55496155
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
2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78807949
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8801213
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687537
N-(2-amino-2-ethylbutyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 119640306
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 52583608
N-[2-(2-fluorophenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 78809016
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 55655477) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CCN(Cc1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is DDYNRYFHERXKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-3-22(14(2)24)13-15-6-4-7-16(12-15)20-19(25)17-8-5-9-23-10-11-28(26,27)21-18(17)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,20,25).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 55655477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).