3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile

C15H16N4O — CID 62982275

IUPAC3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile
SMILESCCCn1ccnc(N(C)c2cccc(C#N)c2)c1=O
InChIInChI=1S/C15H16N4O/c1-3-8-19-9-7-17-14(15(19)20)18(2)13-6-4-5-12(10-13)11-16/h4-7,9-10H,3,8H2,1-2H3
InChIKeyCVQJGYZGCIWDFJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.29
Rot. Bonds4

About 3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile

3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile (PubChem CID 62982275) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile
PubChem CID62982275
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile
SMILESCCCn1ccnc(N(C)c2cccc(C#N)c2)c1=O
InChIInChI=1S/C15H16N4O/c1-3-8-19-9-7-17-14(15(19)20)18(2)13-6-4-5-12(10-13)11-16/h4-7,9-10H,3,8H2,1-2H3
InChIKeyCVQJGYZGCIWDFJ-UHFFFAOYSA-N
XLogP2.29
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-(1-methylimidazol-2-yl)amino]benzonitrile
CID 62981408
3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
CID 62983159
3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
CID 63286547
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)-methylamino]benzonitrile
CID 79947007
2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382290
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-[4-(aminomethyl)-N-methylanilino]-1-ethylpyrazin-2-one
CID 62969926
3-[2-(3-chloro-2-oxopyrazin-1-yl)ethylsulfonyl]benzonitrile
CID 114561547
4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
CID 62983495
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile
CID 102758060
3-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]benzonitrile
CID 62980884
3-(4-ethyl-N-methylanilino)benzonitrile
CID 102816090

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile?
The IUPAC name of 3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile (CID 62982275) is 3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile.
What is the SMILES notation for 3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile?
The canonical SMILES for 3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile is CCCn1ccnc(N(C)c2cccc(C#N)c2)c1=O.
What is the InChIKey of 3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile?
The InChIKey is CVQJGYZGCIWDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-8-19-9-7-17-14(15(19)20)18(2)13-6-4-5-12(10-13)11-16/h4-7,9-10H,3,8H2,1-2H3.
What are the key properties of 3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile?
3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile is sourced from PubChem (CID 62982275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).