N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide

C20H16N6O3 — CID 136963317

IUPACN,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cncc(-c3nnc(-c4ccc[nH]c4=O)o3)n2)cc1
InChIInChI=1S/C20H16N6O3/c1-26(2)20(28)13-7-5-12(6-8-13)15-10-21-11-16(23-15)19-25-24-18(29-19)14-4-3-9-22-17(14)27/h3-11H,1-2H3,(H,22,27)
InChIKeySAEZWPHGVLGOBT-UHFFFAOYSA-N
MW388.39 g/mol
LogP2.25
Rot. Bonds4

About N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide

N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide (PubChem CID 136963317) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide
PubChem CID136963317
Molecular FormulaC20H16N6O3
Molecular Weight388.39 g/mol
Exact Mass388.13
IUPAC NameN,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cncc(-c3nnc(-c4ccc[nH]c4=O)o3)n2)cc1
InChIInChI=1S/C20H16N6O3/c1-26(2)20(28)13-7-5-12(6-8-13)15-10-21-11-16(23-15)19-25-24-18(29-19)14-4-3-9-22-17(14)27/h3-11H,1-2H3,(H,22,27)
InChIKeySAEZWPHGVLGOBT-UHFFFAOYSA-N
XLogP2.25
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-4-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide
CID 147068872
4-(2,4-dioxo-1H-pyrimidin-5-yl)-N,N-dimethylbenzamide
CID 53222393
4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 159987448
N,N-dimethyl-4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide;molecular hydrogen
CID 158225404
4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59472074
N,N-dimethyl-4-(2-oxo-1H-pyrimidin-5-yl)benzamide
CID 53222392
4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
CID 135269919
4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
CID 160610706
4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471640
4-[5-[2-(2-amino-2-oxoethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylbenzamide
CID 136543120
4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 157321398
4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158551825

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide (CID 136963317) is N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide is CN(C)C(=O)c1ccc(-c2cncc(-c3nnc(-c4ccc[nH]c4=O)o3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide?
The InChIKey is SAEZWPHGVLGOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c1-26(2)20(28)13-7-5-12(6-8-13)15-10-21-11-16(23-15)19-25-24-18(29-19)14-4-3-9-22-17(14)27/h3-11H,1-2H3,(H,22,27).
What are the key properties of N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide?
N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide has a molecular weight of 388.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-[5-(2-oxo-1H-pyridin-3-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 136963317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).