N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C16H17N3O3S — CID 27665873

IUPACN-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H17N3O3S/c1-18(11-13-5-3-2-4-6-13)16(20)14-7-8-15-17-23(21,22)10-9-19(15)12-14/h2-8,12H,9-11H2,1H3
InChIKeyJREWAUVMJCHAAB-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.14
Rot. Bonds3

About N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 27665873) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID27665873
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H17N3O3S/c1-18(11-13-5-3-2-4-6-13)16(20)14-7-8-15-17-23(21,22)10-9-19(15)12-14/h2-8,12H,9-11H2,1H3
InChIKeyJREWAUVMJCHAAB-UHFFFAOYSA-N
XLogP1.14
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 46663933
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27823024
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27773653
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 38261216
N-cyclopropyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 30832399
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 55449363
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 55646254
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 30860361
ethyl 3-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]propanoate
CID 47081113
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)methanone
CID 26660476
N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 55383206
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648071

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 27665873) is N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CN(Cc1ccccc1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is JREWAUVMJCHAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-18(11-13-5-3-2-4-6-13)16(20)14-7-8-15-17-23(21,22)10-9-19(15)12-14/h2-8,12H,9-11H2,1H3.
What are the key properties of N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 27665873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).