N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C18H22N4O3S — CID 26953154

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1
InChIInChI=1S/C18H22N4O3S/c1-21(2)12-15-5-3-14(4-6-15)11-19-18(23)16-7-8-17-20-26(24,25)10-9-22(17)13-16/h3-8,13H,9-12H2,1-2H3,(H,19,23)
InChIKeyMIYFMNHGXQEFRI-UHFFFAOYSA-N
MW374.47 g/mol
LogP0.86
Rot. Bonds5

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 26953154) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID26953154
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1
InChIInChI=1S/C18H22N4O3S/c1-21(2)12-15-5-3-14(4-6-15)11-19-18(23)16-7-8-17-20-26(24,25)10-9-22(17)13-16/h3-8,13H,9-12H2,1-2H3,(H,19,23)
InChIKeyMIYFMNHGXQEFRI-UHFFFAOYSA-N
XLogP0.86
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 26953154) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CN(C)Cc1ccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is MIYFMNHGXQEFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-21(2)12-15-5-3-14(4-6-15)11-19-18(23)16-7-8-17-20-26(24,25)10-9-22(17)13-16/h3-8,13H,9-12H2,1-2H3,(H,19,23).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 26953154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).