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

C20H26N4O3S — CID 26958769

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1
InChIInChI=1S/C20H26N4O3S/c1-3-23(4-2)14-17-7-5-16(6-8-17)13-21-20(25)18-9-10-19-22-28(26,27)12-11-24(19)15-18/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,25)
InChIKeyQAHZSQSQSSPZHD-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.64
Rot. Bonds7

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

N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 26958769) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID26958769
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCCN(CC)Cc1ccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1
InChIInChI=1S/C20H26N4O3S/c1-3-23(4-2)14-17-7-5-16(6-8-17)13-21-20(25)18-9-10-19-22-28(26,27)12-11-24(19)15-18/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,25)
InChIKeyQAHZSQSQSSPZHD-UHFFFAOYSA-N
XLogP1.64
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 26958769) is N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CCN(CC)Cc1ccc(CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is QAHZSQSQSSPZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-3-23(4-2)14-17-7-5-16(6-8-17)13-21-20(25)18-9-10-19-22-28(26,27)12-11-24(19)15-18/h5-10,15H,3-4,11-14H2,1-2H3,(H,21,25).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 26958769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).