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

C20H19N3O3S — CID 46663933

IUPACN-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C20H19N3O3S/c1-22(13-15-6-7-16-4-2-3-5-17(16)12-15)20(24)18-8-9-19-21-27(25,26)11-10-23(19)14-18/h2-9,12,14H,10-11,13H2,1H3
InChIKeyPVCCXQNGUICOND-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.30
Rot. Bonds3

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

N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 46663933) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID46663933
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C20H19N3O3S/c1-22(13-15-6-7-16-4-2-3-5-17(16)12-15)20(24)18-8-9-19-21-27(25,26)11-10-23(19)14-18/h2-9,12,14H,10-11,13H2,1H3
InChIKeyPVCCXQNGUICOND-UHFFFAOYSA-N
XLogP2.30
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 46663933) is N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CN(Cc1ccc2ccccc2c1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is PVCCXQNGUICOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-22(13-15-6-7-16-4-2-3-5-17(16)12-15)20(24)18-8-9-19-21-27(25,26)11-10-23(19)14-18/h2-9,12,14H,10-11,13H2,1H3.
What are the key properties of N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(naphthalen-2-ylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 46663933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).