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

C18H21N3O3S — CID 66824244

IUPACN-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1
InChIInChI=1S/C18H21N3O3S/c1-13(2)14-6-8-15(9-7-14)20(3)18(22)16-5-4-10-21-11-12-25(23,24)19-17(16)21/h4-10,13H,11-12H2,1-3H3
InChIKeyPVSPHFCNIATRNC-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.27
Rot. Bonds3

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

N-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 66824244) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound NameN-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID66824244
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1
InChIInChI=1S/C18H21N3O3S/c1-13(2)14-6-8-15(9-7-14)20(3)18(22)16-5-4-10-21-11-12-25(23,24)19-17(16)21/h4-10,13H,11-12H2,1-3H3
InChIKeyPVSPHFCNIATRNC-UHFFFAOYSA-N
XLogP2.27
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of N-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 66824244) is N-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-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-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for N-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is CC(C)c1ccc(N(C)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1.
What is the InChIKey of N-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is PVSPHFCNIATRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13(2)14-6-8-15(9-7-14)20(3)18(22)16-5-4-10-21-11-12-25(23,24)19-17(16)21/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
N-methyl-2,2-dioxo-N-(4-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.27, 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-propan-2-ylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 66824244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).