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

C16H15Cl2N3O3S — CID 27773653

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H15Cl2N3O3S/c1-20(9-11-3-2-4-13(17)15(11)18)16(22)12-5-6-14-19-25(23,24)8-7-21(14)10-12/h2-6,10H,7-9H2,1H3
InChIKeyQYSKJMURADKUHZ-UHFFFAOYSA-N
MW400.29 g/mol
LogP2.45
Rot. Bonds3

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

N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 27773653) has the molecular formula C16H15Cl2N3O3S and a molecular weight of 400.29 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID27773653
Molecular FormulaC16H15Cl2N3O3S
Molecular Weight400.29 g/mol
Exact Mass399.02
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H15Cl2N3O3S/c1-20(9-11-3-2-4-13(17)15(11)18)16(22)12-5-6-14-19-25(23,24)8-7-21(14)10-12/h2-6,10H,7-9H2,1H3
InChIKeyQYSKJMURADKUHZ-UHFFFAOYSA-N
XLogP2.45
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 27773653) is N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CN(Cc1cccc(Cl)c1Cl)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is QYSKJMURADKUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3S/c1-20(9-11-3-2-4-13(17)15(11)18)16(22)12-5-6-14-19-25(23,24)8-7-21(14)10-12/h2-6,10H,7-9H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 400.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 27773653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).