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

C17H16F3N3O3S — CID 55383206

IUPACN-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C17H16F3N3O3S/c1-22(11-12-4-6-13(7-5-12)17(18,19)20)16(24)14-3-2-8-23-9-10-27(25,26)21-15(14)23/h2-8H,9-11H2,1H3
InChIKeyRGXKCOXGSZYFMD-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.16
Rot. Bonds3

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

N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 55383206) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID55383206
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC NameN-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C17H16F3N3O3S/c1-22(11-12-4-6-13(7-5-12)17(18,19)20)16(24)14-3-2-8-23-9-10-27(25,26)21-15(14)23/h2-8H,9-11H2,1H3
InChIKeyRGXKCOXGSZYFMD-UHFFFAOYSA-N
XLogP2.16
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 55383206) is N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CN(Cc1ccc(C(F)(F)F)cc1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is RGXKCOXGSZYFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c1-22(11-12-4-6-13(7-5-12)17(18,19)20)16(24)14-3-2-8-23-9-10-27(25,26)21-15(14)23/h2-8H,9-11H2,1H3.
What are the key properties of N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 399.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 55383206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).