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

C20H25N5O3S — CID 56517617

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1
InChIInChI=1S/C20H25N5O3S/c1-23-8-10-24(11-9-23)18-5-3-2-4-16(18)14-21-20(26)17-6-7-19-22-29(27,28)13-12-25(19)15-17/h2-7,15H,8-14H2,1H3,(H,21,26)
InChIKeyLCQQINMLWROSCO-UHFFFAOYSA-N
MW415.52 g/mol
LogP0.55
Rot. Bonds4

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

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 56517617) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID56517617
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1
InChIInChI=1S/C20H25N5O3S/c1-23-8-10-24(11-9-23)18-5-3-2-4-16(18)14-21-20(26)17-6-7-19-22-29(27,28)13-12-25(19)15-17/h2-7,15H,8-14H2,1H3,(H,21,26)
InChIKeyLCQQINMLWROSCO-UHFFFAOYSA-N
XLogP0.55
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 56517617) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CN1CCN(c2ccccc2CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is LCQQINMLWROSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-23-8-10-24(11-9-23)18-5-3-2-4-16(18)14-21-20(26)17-6-7-19-22-29(27,28)13-12-25(19)15-17/h2-7,15H,8-14H2,1H3,(H,21,26).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 56517617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).