3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen

C74H82N20O6 — CID 158369301

IUPAC3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C#N)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C#N)cnc3C)o2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C)cnc3C)o2)c(C)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25N7O2.C25H28N6O2.C24H23N7O2.3H2/c1-14(2)32-21(11-26)19(8-9-22(32)33)20-13-28-16(4)23(29-20)25-31-30-24(34-25)18-7-6-17(12-27-5)10-15(18)3;1-14(2)31-17(5)20(9-10-22(31)32)21-13-27-16(4)23(28-21)25-30-29-24(33-25)19-8-7-18(12-26-6)11-15(19)3;1-14(2)31-20(11-25)18(9-10-21(31)32)19-13-27-15(3)22(28-19)24-30-29-23(33-24)17-7-5-16(6-8-17)12-26-4;;;/h6-10,13-14,27H,12H2,1-5H3;7-11,13-14,26H,12H2,1-6H3;5-10,13-14,26H,12H2,1-4H3;3*1H
InChIKeyGUKNCIPZZCFRLA-UHFFFAOYSA-N
MW1347.60 g/mol
LogP12.30
Rot. Bonds18

About 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen

3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen (PubChem CID 158369301) has the molecular formula C74H82N20O6 and a molecular weight of 1347.60 g/mol. Its IUPAC name is 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen.

Molecular Properties

Compound Name3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
PubChem CID158369301
Molecular FormulaC74H82N20O6
Molecular Weight1347.60 g/mol
Exact Mass1346.67
IUPAC Name3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C#N)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C#N)cnc3C)o2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C)cnc3C)o2)c(C)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C25H25N7O2.C25H28N6O2.C24H23N7O2.3H2/c1-14(2)32-21(11-26)19(8-9-22(32)33)20-13-28-16(4)23(29-20)25-31-30-24(34-25)18-7-6-17(12-27-5)10-15(18)3;1-14(2)31-17(5)20(9-10-22(31)32)21-13-27-16(4)23(28-21)25-30-29-24(33-25)19-8-7-18(12-26-6)11-15(19)3;1-14(2)31-20(11-25)18(9-10-21(31)32)19-13-27-15(3)22(28-19)24-30-29-23(33-24)17-7-5-16(6-8-17)12-26-4;;;/h6-10,13-14,27H,12H2,1-5H3;7-11,13-14,26H,12H2,1-6H3;5-10,13-14,26H,12H2,1-4H3;3*1H
InChIKeyGUKNCIPZZCFRLA-UHFFFAOYSA-N
XLogP12.30
TPSA343.77 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001347.60
LogP ≤ 512.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen with MolForge

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Related Compounds

Synthesis of 5-[5-amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2-dimethylaminoethyl)pyridin-2-one
CID 54672749
3-[5-Amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile
CID 54673242
5-[5-Amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-methyl-1-propan-2-ylpyridin-2-one
CID 54673243
5-[5-Amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-cyclopentylpyridin-2-one
CID 54675125
2-[5-[5-Amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile
CID 54675127
5-[5-amino-6-[5-[2-methyl-4-[[[(3S)-tetrahydrofuran-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-isopropyl-pyridin-2-one
CID 58070495
5-[5-Amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 68071011
5-[5-Amino-6-[5-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 129060504
2-[5-[3-Amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-(methylaminomethyl)benzonitrile
CID 129060605
2-[5-[3-Amino-6-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-5-[(tert-butylamino)methyl]benzonitrile
CID 129060612
5-[5-Methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 58070268
1-(1-Fluoropropan-2-yl)-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyridin-2-one
CID 58070407

Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?
The IUPAC name of 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen (CID 158369301) is 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen.
What is the SMILES notation for 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?
The canonical SMILES for 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C#N)cnc3C)o2)c(C)c1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C#N)cnc3C)o2)cc1.CNCc1ccc(-c2nnc(-c3nc(-c4ccc(=O)n(C(C)C)c4C)cnc3C)o2)c(C)c1.[H][H].[H][H].[H][H].
What is the InChIKey of 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?
The InChIKey is GUKNCIPZZCFRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2.C25H28N6O2.C24H23N7O2.3H2/c1-14(2)32-21(11-26)19(8-9-22(32)33)20-13-28-16(4)23(29-20)25-31-30-24(34-25)18-7-6-17(12-27-5)10-15(18)3;1-14(2)31-17(5)20(9-10-22(31)32)21-13-27-16(4)23(28-21)25-30-29-24(33-25)19-8-7-18(12-26-6)11-15(19)3;1-14(2)31-20(11-25)18(9-10-21(31)32)19-13-27-15(3)22(28-19)24-30-29-23(33-24)17-7-5-16(6-8-17)12-26-4;;;/h6-10,13-14,27H,12H2,1-5H3;7-11,13-14,26H,12H2,1-6H3;5-10,13-14,26H,12H2,1-4H3;3*1H.
What are the key properties of 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen?
3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen has a molecular weight of 1347.60 g/mol, XLogP of 12.30, 18 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;3-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-6-oxo-1-propan-2-ylpyridine-2-carbonitrile;6-methyl-5-[5-methyl-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one;molecular hydrogen is sourced from PubChem (CID 158369301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).