5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide

C16H22N6O3S — CID 110214210

IUPAC5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
SMILESCc1nn(C)cc1C1CC(C(=O)NCc2ccccn2)N(C)S(=O)(=O)N1
InChIInChI=1S/C16H22N6O3S/c1-11-13(10-21(2)19-11)14-8-15(22(3)26(24,25)20-14)16(23)18-9-12-6-4-5-7-17-12/h4-7,10,14-15,20H,8-9H2,1-3H3,(H,18,23)
InChIKeyVVBAIJYMBXKBSR-UHFFFAOYSA-N
MW378.46 g/mol
LogP0.02
Rot. Bonds4

About 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide

5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide (PubChem CID 110214210) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
PubChem CID110214210
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
SMILESCc1nn(C)cc1C1CC(C(=O)NCc2ccccn2)N(C)S(=O)(=O)N1
InChIInChI=1S/C16H22N6O3S/c1-11-13(10-21(2)19-11)14-8-15(22(3)26(24,25)20-14)16(23)18-9-12-6-4-5-7-17-12/h4-7,10,14-15,20H,8-9H2,1-3H3,(H,18,23)
InChIKeyVVBAIJYMBXKBSR-UHFFFAOYSA-N
XLogP0.02
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5S)-5-(furan-2-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide
CID 16670792
(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-pyridin-3-yl-1,2,6-thiadiazinane-3-carboxamide
CID 95797818
(3S,5S)-5-(1,3-dimethylpyrazol-4-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797822
(3R,5S)-N-(1-butylpyrazol-4-yl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 95797735
1-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110687259
2-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109134155
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836
(2S,3aS,7aR)-1-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 124734521
(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 95717599
N-(3-chloro-4-fluorophenyl)-5-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-2-methyl-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide
CID 135318405
3-(difluoromethyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 154582530
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136931

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide (CID 110214210) is 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide is Cc1nn(C)cc1C1CC(C(=O)NCc2ccccn2)N(C)S(=O)(=O)N1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
The InChIKey is VVBAIJYMBXKBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c1-11-13(10-21(2)19-11)14-8-15(22(3)26(24,25)20-14)16(23)18-9-12-6-4-5-7-17-12/h4-7,10,14-15,20H,8-9H2,1-3H3,(H,18,23).
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide?
5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-2-methyl-1,1-dioxo-N-(pyridin-2-ylmethyl)-1,2,6-thiadiazinane-3-carboxamide is sourced from PubChem (CID 110214210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).