N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide

C17H12N6O — CID 1236462

IUPACN-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1nc(C#N)c(C#N)nc1C)c1ccc(C#N)cc1
InChIInChI=1S/C17H12N6O/c1-11-17(22-16(9-20)15(8-19)21-11)10-23(12(2)24)14-5-3-13(7-18)4-6-14/h3-6H,10H2,1-2H3
InChIKeyXZOLOPNNGGOUHS-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.95
Rot. Bonds3

About N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide

N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 1236462) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide
PubChem CID1236462
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC NameN-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide
SMILESCC(=O)N(Cc1nc(C#N)c(C#N)nc1C)c1ccc(C#N)cc1
InChIInChI=1S/C17H12N6O/c1-11-17(22-16(9-20)15(8-19)21-11)10-23(12(2)24)14-5-3-13(7-18)4-6-14/h3-6H,10H2,1-2H3
InChIKeyXZOLOPNNGGOUHS-UHFFFAOYSA-N
XLogP1.95
TPSA117.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide (CID 1236462) is N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide is CC(=O)N(Cc1nc(C#N)c(C#N)nc1C)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is XZOLOPNNGGOUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c1-11-17(22-16(9-20)15(8-19)21-11)10-23(12(2)24)14-5-3-13(7-18)4-6-14/h3-6H,10H2,1-2H3.
What are the key properties of N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide?
N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 316.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-[(5,6-dicyano-3-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 1236462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).