N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide

C16H21N5O3S — CID 70579053

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC2CCCN2C)c2nccnc2c1
InChIInChI=1S/C16H21N5O3S/c1-17-25(23,24)12-8-13(15-14(9-12)18-5-6-19-15)16(22)20-10-11-4-3-7-21(11)2/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3,(H,20,22)
InChIKeyJVXQZDYNXUAYIY-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.36
Rot. Bonds5

About N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide

N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide (PubChem CID 70579053) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide
PubChem CID70579053
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC2CCCN2C)c2nccnc2c1
InChIInChI=1S/C16H21N5O3S/c1-17-25(23,24)12-8-13(15-14(9-12)18-5-6-19-15)16(22)20-10-11-4-3-7-21(11)2/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3,(H,20,22)
InChIKeyJVXQZDYNXUAYIY-UHFFFAOYSA-N
XLogP0.36
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethoxy-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-5-(methylsulfamoyl)benzamide
CID 76969232
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 114138605
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 20544723
2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 114138586
4-hydrazinyl-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 106025891
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103733781
4-amino-1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-3-carboxamide
CID 106021956
4-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 114138158
3-amino-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide
CID 113447691
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 47416436

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide (CID 70579053) is N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide is CNS(=O)(=O)c1cc(C(=O)NCC2CCCN2C)c2nccnc2c1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide?
The InChIKey is JVXQZDYNXUAYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-17-25(23,24)12-8-13(15-14(9-12)18-5-6-19-15)16(22)20-10-11-4-3-7-21(11)2/h5-6,8-9,11,17H,3-4,7,10H2,1-2H3,(H,20,22).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide?
N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-7-(methylsulfamoyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 70579053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).