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

C23H27N5O3 — CID 53317096

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O
InChIInChI=1S/C23H27N5O3/c1-16-7-8-20(31-3)18(12-16)14-26-21(29)15-28-17(2)13-27-22(23(28)30)25-11-9-19-6-4-5-10-24-19/h4-8,10,12-13H,9,11,14-15H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyCLUDSWWOOHMGEC-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.23
Rot. Bonds9

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

N-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (PubChem CID 53317096) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
PubChem CID53317096
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide
SMILESCOc1ccc(C)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O
InChIInChI=1S/C23H27N5O3/c1-16-7-8-20(31-3)18(12-16)14-26-21(29)15-28-17(2)13-27-22(23(28)30)25-11-9-19-6-4-5-10-24-19/h4-8,10,12-13H,9,11,14-15H2,1-3H3,(H,25,27)(H,26,29)
InChIKeyCLUDSWWOOHMGEC-UHFFFAOYSA-N
XLogP2.23
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide (CID 53317096) is N-[(2-methoxy-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-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is COc1ccc(C)cc1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
The InChIKey is CLUDSWWOOHMGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-16-7-8-20(31-3)18(12-16)14-26-21(29)15-28-17(2)13-27-22(23(28)30)25-11-9-19-6-4-5-10-24-19/h4-8,10,12-13H,9,11,14-15H2,1-3H3,(H,25,27)(H,26,29).
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide?
N-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetamide is sourced from PubChem (CID 53317096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).