3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide

C19H26N6O3S — CID 22240827

IUPAC3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1
InChIInChI=1S/C19H26N6O3S/c1-24(2)29(27,28)25-12-8-19(9-13-25,15-6-4-3-5-7-15)14-23-18(26)16-17(20)22-11-10-21-16/h3-7,10-11H,8-9,12-14H2,1-2H3,(H2,20,22)(H,23,26)
InChIKeyQCHACBDJNQDDAY-UHFFFAOYSA-N
MW418.52 g/mol
LogP0.63
Rot. Bonds6

About 3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide (PubChem CID 22240827) has the molecular formula C19H26N6O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
PubChem CID22240827
Molecular FormulaC19H26N6O3S
Molecular Weight418.52 g/mol
Exact Mass418.18
IUPAC Name3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1
InChIInChI=1S/C19H26N6O3S/c1-24(2)29(27,28)25-12-8-19(9-13-25,15-6-4-3-5-7-15)14-23-18(26)16-17(20)22-11-10-21-16/h3-7,10-11H,8-9,12-14H2,1-2H3,(H2,20,22)(H,23,26)
InChIKeyQCHACBDJNQDDAY-UHFFFAOYSA-N
XLogP0.63
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
3-amino-N-[[1-(N'-cyanocarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 89126639
3-amino-N-[[1-(1-methylsulfanyl-2-nitroethenyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 76826294
(5Z)-5-[(Z)-but-2-enylidene]-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-6-methylidenecyclohexa-1,3-diene-1-carboxamide
CID 142821373
1-(dimethylsulfamoyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 56921660
4-[(isoquinolin-1-ylamino)methyl]-N,N-dimethyl-4-phenylpiperidine-1-sulfonamide;methane;N-[(4-phenylpiperidin-4-yl)methyl]isoquinolin-1-amine
CID 158731502
2-hydroxy-6-methoxy-N-[[1-[2-methoxyethyl(methyl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 23600437
3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 56785863
3-amino-N-[[1-[(Z)-N'-isocyanocarbamimidoyl]-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide;3-amino-N-[(4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;N-isocyano-1,1-diphenoxymethanimine;phenyl (1E)-4-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-N-isocyano-4-phenylpiperidine-1-carboximidate
CID 172955077
3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91769760
5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide
CID 22241034
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide (CID 22240827) is 3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide is CN(C)S(=O)(=O)N1CCC(CNC(=O)c2nccnc2N)(c2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is QCHACBDJNQDDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S/c1-24(2)29(27,28)25-12-8-19(9-13-25,15-6-4-3-5-7-15)14-23-18(26)16-17(20)22-11-10-21-16/h3-7,10-11H,8-9,12-14H2,1-2H3,(H2,20,22)(H,23,26).
What are the key properties of 3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(dimethylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 22240827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).