N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide

C23H24N6O2 — CID 53322357

IUPACN-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1
InChIInChI=1S/C23H24N6O2/c1-16-6-7-18(12-24)19(11-16)14-27-21(30)15-29-17(2)13-28-22(23(29)31)26-10-8-20-5-3-4-9-25-20/h3-7,9,11,13H,8,10,14-15H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyAYGXURRXXZYKCX-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.10
Rot. Bonds8

About N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide

N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (PubChem CID 53322357) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
PubChem CID53322357
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1
InChIInChI=1S/C23H24N6O2/c1-16-6-7-18(12-24)19(11-16)14-27-21(30)15-29-17(2)13-28-22(23(29)31)26-10-8-20-5-3-4-9-25-20/h3-7,9,11,13H,8,10,14-15H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyAYGXURRXXZYKCX-UHFFFAOYSA-N
XLogP2.10
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (CID 53322357) is N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is Cc1ccc(C#N)c(CNC(=O)Cn2c(C)cnc(NCCc3ccccn3)c2=O)c1.
What is the InChIKey of N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is AYGXURRXXZYKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16-6-7-18(12-24)19(11-16)14-27-21(30)15-29-17(2)13-28-22(23(29)31)26-10-8-20-5-3-4-9-25-20/h3-7,9,11,13H,8,10,14-15H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 416.49 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyano-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 53322357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).