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

C21H19N7O2 — CID 160610706

IUPAC4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(-c2ccnc(N)c2)o1
InChIInChI=1S/C21H19N7O2/c1-12-18(20-27-26-19(30-20)15-8-9-23-17(22)10-15)25-16(11-24-12)13-4-6-14(7-5-13)21(29)28(2)3/h4-11H,1-3H3,(H2,22,23)
InChIKeyMJAQAHXDDPBNDS-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.85
Rot. Bonds4

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

4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 160610706) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID160610706
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(-c2ccnc(N)c2)o1
InChIInChI=1S/C21H19N7O2/c1-12-18(20-27-26-19(30-20)15-8-9-23-17(22)10-15)25-16(11-24-12)13-4-6-14(7-5-13)21(29)28(2)3/h4-11H,1-3H3,(H2,22,23)
InChIKeyMJAQAHXDDPBNDS-UHFFFAOYSA-N
XLogP2.85
TPSA123.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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-[6-(5-anilino-1,3,4-oxadiazol-2-yl)-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
CID 135269919
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-[5-methyl-6-[5-(2-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide
CID 147068872
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-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158551825
4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 159987448
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-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
CID 91271432
2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol
CID 162012937
4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 157321398
4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline
CID 167196720

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide (CID 160610706) is 4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide is Cc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(-c2ccnc(N)c2)o1.
What is the InChIKey of 4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is MJAQAHXDDPBNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-12-18(20-27-26-19(30-20)15-8-9-23-17(22)10-15)25-16(11-24-12)13-4-6-14(7-5-13)21(29)28(2)3/h4-11H,1-3H3,(H2,22,23).
What are the key properties of 4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide?
4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 401.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 160610706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).