4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide

C22H20N6O2 — CID 135269919

IUPAC4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(Nc2ccccc2)o1
InChIInChI=1S/C22H20N6O2/c1-14-19(20-26-27-22(30-20)24-17-7-5-4-6-8-17)25-18(13-23-14)15-9-11-16(12-10-15)21(29)28(2)3/h4-13H,1-3H3,(H,24,27)
InChIKeyCGUUXGDWZRIRDV-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.95
Rot. Bonds5

About 4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide

4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 135269919) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID135269919
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(Nc2ccccc2)o1
InChIInChI=1S/C22H20N6O2/c1-14-19(20-26-27-22(30-20)24-17-7-5-4-6-8-17)25-18(13-23-14)15-9-11-16(12-10-15)21(29)28(2)3/h4-13H,1-3H3,(H,24,27)
InChIKeyCGUUXGDWZRIRDV-UHFFFAOYSA-N
XLogP3.95
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 157321398
N,N-dimethyl-4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide;molecular hydrogen
CID 158225404
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-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
CID 160610706
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-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]acetamide;molecular hydrogen
CID 161451115
4-[5-amino-6-[5-[(3-chlorocyclohexa-1,3-dien-1-yl)amino]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 70883142
3-(difluoromethyl)-N,N-dimethyl-4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;molecular hydrogen
CID 158481748
4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471640
4-[5-amino-6-[5-(2-cyanoanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;4-[5-amino-6-(hydrazinecarbonyl)pyrazin-2-yl]-N,N-dimethylbenzamide;methyl 3-amino-6-bromopyrazine-2-carboxylate
CID 161466566
1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen
CID 161223720
4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 3235401

Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide (CID 135269919) is 4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide is Cc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(Nc2ccccc2)o1.
What is the InChIKey of 4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is CGUUXGDWZRIRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-14-19(20-26-27-22(30-20)24-17-7-5-4-6-8-17)25-18(13-23-14)15-9-11-16(12-10-15)21(29)28(2)3/h4-13H,1-3H3,(H,24,27).
What are the key properties of 4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide?
4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 400.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 135269919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).