N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide

C17H15N5O — CID 10638284

IUPACN-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C(C)c1nc(C#N)c(C#N)nc1C
InChIInChI=1S/C17H15N5O/c1-11-17(21-16(10-19)15(9-18)20-11)12(2)22(13(3)23)14-7-5-4-6-8-14/h4-8,12H,1-3H3
InChIKeyYGUKSUHOJOATSX-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.64
Rot. Bonds3

About N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide

N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide (PubChem CID 10638284) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide
PubChem CID10638284
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C(C)c1nc(C#N)c(C#N)nc1C
InChIInChI=1S/C17H15N5O/c1-11-17(21-16(10-19)15(9-18)20-11)12(2)22(13(3)23)14-7-5-4-6-8-14/h4-8,12H,1-3H3
InChIKeyYGUKSUHOJOATSX-UHFFFAOYSA-N
XLogP2.64
TPSA93.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide?
The IUPAC name of N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide (CID 10638284) is N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide?
The canonical SMILES for N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C(C)c1nc(C#N)c(C#N)nc1C.
What is the InChIKey of N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide?
The InChIKey is YGUKSUHOJOATSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-17(21-16(10-19)15(9-18)20-11)12(2)22(13(3)23)14-7-5-4-6-8-14/h4-8,12H,1-3H3.
What are the key properties of N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide?
N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide has a molecular weight of 305.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6-dicyano-3-methylpyrazin-2-yl)ethyl]-N-phenylacetamide is sourced from PubChem (CID 10638284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).