2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide

C22H25N5O2 — CID 10905246

IUPAC2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide
SMILESCc1ncccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O
InChIInChI=1S/C22H25N5O2/c1-16-13-26-21(24-12-10-18-7-4-3-5-8-18)22(29)27(16)15-20(28)25-14-19-9-6-11-23-17(19)2/h3-9,11,13H,10,12,14-15H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyZWUFFLCHMLJDOS-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.23
Rot. Bonds8

About 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide

2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide (PubChem CID 10905246) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide
PubChem CID10905246
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide
SMILESCc1ncccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O
InChIInChI=1S/C22H25N5O2/c1-16-13-26-21(24-12-10-18-7-4-3-5-8-18)22(29)27(16)15-20(28)25-14-19-9-6-11-23-17(19)2/h3-9,11,13H,10,12,14-15H2,1-2H3,(H,24,26)(H,25,28)
InChIKeyZWUFFLCHMLJDOS-UHFFFAOYSA-N
XLogP2.23
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide (CID 10905246) is 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide is Cc1ncccc1CNC(=O)Cn1c(C)cnc(NCCc2ccccc2)c1=O.
What is the InChIKey of 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide?
The InChIKey is ZWUFFLCHMLJDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-13-26-21(24-12-10-18-7-4-3-5-8-18)22(29)27(16)15-20(28)25-14-19-9-6-11-23-17(19)2/h3-9,11,13H,10,12,14-15H2,1-2H3,(H,24,26)(H,25,28).
What are the key properties of 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide?
2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 10905246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).