3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile

C15H16N4O — CID 62940669

IUPAC3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile
SMILESCCn1ccnc(N(CCC#N)c2ccccc2)c1=O
InChIInChI=1S/C15H16N4O/c1-2-18-12-10-17-14(15(18)20)19(11-6-9-16)13-7-4-3-5-8-13/h3-5,7-8,10,12H,2,6,11H2,1H3
InChIKeyZEKOVFSCJVDVMY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.31
Rot. Bonds5

About 3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile

3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile (PubChem CID 62940669) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile.

Molecular Properties

Compound Name3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile
PubChem CID62940669
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile
SMILESCCn1ccnc(N(CCC#N)c2ccccc2)c1=O
InChIInChI=1S/C15H16N4O/c1-2-18-12-10-17-14(15(18)20)19(11-6-9-16)13-7-4-3-5-8-13/h3-5,7-8,10,12H,2,6,11H2,1H3
InChIKeyZEKOVFSCJVDVMY-UHFFFAOYSA-N
XLogP2.31
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-(3-aminopyrazin-2-yl)anilino)propanenitrile
CID 102985244
3-[ethyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile
CID 62938750
3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one
CID 62938394
N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
CID 61069381
3-[bis(2-aminoethyl)amino]-1-ethylpyrazin-2-one
CID 62922421
3-[bis(2-hydroxyethyl)amino]-1-ethylpyrazin-2-one
CID 62929908
3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
CID 63286547
3-(N-[5-(chloromethyl)-3-methyl-2-pyridinyl]anilino)propanenitrile
CID 80628426
3-(N-(2-methylpyrimidin-4-yl)anilino)propanenitrile
CID 62785654
3-(N-(5-amino-3-bromo-4-methyl-2-pyridinyl)anilino)propanenitrile
CID 104506211
1-ethyl-3-methylpyrazin-2-one
CID 90291055
N'-hydroxy-3-(N-(4-methyl-3-oxopyrazin-2-yl)anilino)propanimidamide
CID 76981236

Frequently Asked Questions

What is the IUPAC name of 3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile?
The IUPAC name of 3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile (CID 62940669) is 3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile.
What is the SMILES notation for 3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile?
The canonical SMILES for 3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile is CCn1ccnc(N(CCC#N)c2ccccc2)c1=O.
What is the InChIKey of 3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile?
The InChIKey is ZEKOVFSCJVDVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-18-12-10-17-14(15(18)20)19(11-6-9-16)13-7-4-3-5-8-13/h3-5,7-8,10,12H,2,6,11H2,1H3.
What are the key properties of 3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile?
3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile has a molecular weight of 268.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(4-ethyl-3-oxopyrazin-2-yl)anilino)propanenitrile is sourced from PubChem (CID 62940669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).