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

C17H18FN3O3S — CID 46534353

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C17H18FN3O3S/c1-2-20(12-13-5-3-6-14(18)11-13)17(22)15-7-4-8-21-9-10-25(23,24)19-16(15)21/h3-8,11H,2,9-10,12H2,1H3
InChIKeyMDXXOJCBNBDFNF-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.67
Rot. Bonds4

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

N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 46534353) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID46534353
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C17H18FN3O3S/c1-2-20(12-13-5-3-6-14(18)11-13)17(22)15-7-4-8-21-9-10-25(23,24)19-16(15)21/h3-8,11H,2,9-10,12H2,1H3
InChIKeyMDXXOJCBNBDFNF-UHFFFAOYSA-N
XLogP1.67
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 46534353) is N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CCN(Cc1cccc(F)c1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is MDXXOJCBNBDFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c1-2-20(12-13-5-3-6-14(18)11-13)17(22)15-7-4-8-21-9-10-25(23,24)19-16(15)21/h3-8,11H,2,9-10,12H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 46534353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).