N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C22H28N4O4S — CID 56500450

IUPACN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C22H28N4O4S/c1-18(15-24-9-12-30-13-10-24)26(16-19-5-3-2-4-6-19)22(27)20-7-8-21-23-31(28,29)14-11-25(21)17-20/h2-8,17-18H,9-16H2,1H3
InChIKeyNFEZRBAESOIOBN-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.23
Rot. Bonds6

About N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 56500450) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID56500450
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC NameN-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C22H28N4O4S/c1-18(15-24-9-12-30-13-10-24)26(16-19-5-3-2-4-6-19)22(27)20-7-8-21-23-31(28,29)14-11-25(21)17-20/h2-8,17-18H,9-16H2,1H3
InChIKeyNFEZRBAESOIOBN-UHFFFAOYSA-N
XLogP1.23
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide with MolForge

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Related Compounds

N-benzyl-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27665873
N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501396
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 27823024
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 56501654
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 56500963
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
N-benzyl-4-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 119877069
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-(4-sulfamoylphenyl)acetamide
CID 56581067
N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide
CID 56500994

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 56500450) is N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is CC(CN1CCOCC1)N(Cc1ccccc1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is NFEZRBAESOIOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-18(15-24-9-12-30-13-10-24)26(16-19-5-3-2-4-6-19)22(27)20-7-8-21-23-31(28,29)14-11-25(21)17-20/h2-8,17-18H,9-16H2,1H3.
What are the key properties of N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 444.56 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 56500450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).