4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide

C22H21N7O3 — CID 59471614

IUPAC4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccccc1Nc1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1
InChIInChI=1S/C22H21N7O3/c1-29(2)21(30)14-10-8-13(9-11-14)16-12-24-19(23)18(25-16)20-27-28-22(32-20)26-15-6-4-5-7-17(15)31-3/h4-12H,1-3H3,(H2,23,24)(H,26,28)
InChIKeySAHOPFPAIUTJGL-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.23
Rot. Bonds6

About 4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide

4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59471614) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59471614
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCOc1ccccc1Nc1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1
InChIInChI=1S/C22H21N7O3/c1-29(2)21(30)14-10-8-13(9-11-14)16-12-24-19(23)18(25-16)20-27-28-22(32-20)26-15-6-4-5-7-17(15)31-3/h4-12H,1-3H3,(H2,23,24)(H,26,28)
InChIKeySAHOPFPAIUTJGL-UHFFFAOYSA-N
XLogP3.23
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59471614) is 4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is COc1ccccc1Nc1nnc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.
What is the InChIKey of 4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is SAHOPFPAIUTJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-29(2)21(30)14-10-8-13(9-11-14)16-12-24-19(23)18(25-16)20-27-28-22(32-20)26-15-6-4-5-7-17(15)31-3/h4-12H,1-3H3,(H2,23,24)(H,26,28).
What are the key properties of 4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 431.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59471614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).