N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C19H22N4O4S — CID 46563354

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C19H22N4O4S/c1-13-5-4-6-14(2)18(13)20-17(24)12-22(3)19(25)15-7-8-16-21-28(26,27)10-9-23(16)11-15/h4-8,11H,9-10,12H2,1-3H3,(H,20,24)
InChIKeyMGMFZJLLNYHGRA-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.20
Rot. Bonds4

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 46563354) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID46563354
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C19H22N4O4S/c1-13-5-4-6-14(2)18(13)20-17(24)12-22(3)19(25)15-7-8-16-21-28(26,27)10-9-23(16)11-15/h4-8,11H,9-10,12H2,1-3H3,(H,20,24)
InChIKeyMGMFZJLLNYHGRA-UHFFFAOYSA-N
XLogP1.20
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2,2-dioxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27833804
N-(2-benzylphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 4963607
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500775
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46598218
N-(2-methylpentan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 49366370
N-(2,6-dimethylphenyl)-2-[[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-methylamino]acetamide
CID 9426123
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55383125
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 24981969
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 78771701
N-[1-(1-adamantyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46560360
cis-(1R,2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 2650123

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 46563354) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is MGMFZJLLNYHGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-13-5-4-6-14(2)18(13)20-17(24)12-22(3)19(25)15-7-8-16-21-28(26,27)10-9-23(16)11-15/h4-8,11H,9-10,12H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 46563354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).