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

C16H17N3O3S — CID 8777050

IUPAC2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCCc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C16H17N3O3S/c20-16(17-9-8-13-5-2-1-3-6-13)14-7-4-10-19-11-12-23(21,22)18-15(14)19/h1-7,10H,8-9,11-12H2,(H,17,20)
InChIKeyNQZVRVVIFUODBJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP0.84
Rot. Bonds4

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

2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 8777050) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID8777050
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESO=C(NCCc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C16H17N3O3S/c20-16(17-9-8-13-5-2-1-3-6-13)14-7-4-10-19-11-12-23(21,22)18-15(14)19/h1-7,10H,8-9,11-12H2,(H,17,20)
InChIKeyNQZVRVVIFUODBJ-UHFFFAOYSA-N
XLogP0.84
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 50.84
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-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of 2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 8777050) is 2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for 2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is O=C(NCCc1ccccc1)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of 2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is NQZVRVVIFUODBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16(17-9-8-13-5-2-1-3-6-13)14-7-4-10-19-11-12-23(21,22)18-15(14)19/h1-7,10H,8-9,11-12H2,(H,17,20).
What are the key properties of 2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
2,2-dioxo-N-(2-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 0.84, 4 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-phenylethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 8777050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).