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

C20H17N3O3S — CID 78807949

IUPAC2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C20H17N3O3S/c24-20(17-10-6-12-23-13-14-27(25,26)22-19(17)23)21-18-11-5-4-9-16(18)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,21,24)
InChIKeyIQMKFBWXMHVCDC-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.79
Rot. Bonds3

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

2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 78807949) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID78807949
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C20H17N3O3S/c24-20(17-10-6-12-23-13-14-27(25,26)22-19(17)23)21-18-11-5-4-9-16(18)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,21,24)
InChIKeyIQMKFBWXMHVCDC-UHFFFAOYSA-N
XLogP2.79
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of 2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 78807949) is 2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for 2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(Nc1ccccc1-c1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of 2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is IQMKFBWXMHVCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-20(17-10-6-12-23-13-14-27(25,26)22-19(17)23)21-18-11-5-4-9-16(18)15-7-2-1-3-8-15/h1-12H,13-14H2,(H,21,24).
What are the key properties of 2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-(2-phenylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 78807949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).