N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide

C19H20N6O3S — CID 123264996

IUPACN,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC=C(c2cncc(-c3nnc(-c4ccccc4)o3)n2)CC1
InChIInChI=1S/C19H20N6O3S/c1-24(2)29(26,27)25-10-8-14(9-11-25)16-12-20-13-17(21-16)19-23-22-18(28-19)15-6-4-3-5-7-15/h3-8,12-13H,9-11H2,1-2H3
InChIKeyJKCUCJJHNQCPCU-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.09
Rot. Bonds5

About N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide

N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide (PubChem CID 123264996) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide
PubChem CID123264996
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC NameN,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CC=C(c2cncc(-c3nnc(-c4ccccc4)o3)n2)CC1
InChIInChI=1S/C19H20N6O3S/c1-24(2)29(26,27)25-10-8-14(9-11-25)16-12-20-13-17(21-16)19-23-22-18(28-19)15-6-4-3-5-7-15/h3-8,12-13H,9-11H2,1-2H3
InChIKeyJKCUCJJHNQCPCU-UHFFFAOYSA-N
XLogP2.09
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide (CID 123264996) is N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide is CN(C)S(=O)(=O)N1CC=C(c2cncc(-c3nnc(-c4ccccc4)o3)n2)CC1.
What is the InChIKey of N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide?
The InChIKey is JKCUCJJHNQCPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-24(2)29(26,27)25-10-8-14(9-11-25)16-12-20-13-17(21-16)19-23-22-18(28-19)15-6-4-3-5-7-15/h3-8,12-13H,9-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide?
N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide has a molecular weight of 412.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-sulfonamide is sourced from PubChem (CID 123264996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).