N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide

C21H22N4O3 — CID 172657449

About N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide

N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172657449) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 172657449
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
• SMILES: Cc1cnc(Cn2ccc(C)c(C(=O)Nc3cccc(C(C)O)c3)c2=O)cn1
• InChI: InChI=1S/C21H22N4O3/c1-13-7-8-25(12-18-11-22-14(2)10-23-18)21(28)19(13)20(27)24-17-6-4-5-16(9-17)15(3)26/h4-11,15,26H,12H2,1-3H3,(H,24,27)
• InChIKey: FNHHNBSMNUBWLI-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 97.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (CID 172657449) is N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is Cc1cnc(Cn2ccc(C)c(C(=O)Nc3cccc(C(C)O)c3)c2=O)cn1.

What is the InChIKey of N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

The InChIKey is FNHHNBSMNUBWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-7-8-25(12-18-11-22-14(2)10-23-18)21(28)19(13)20(27)24-17-6-4-5-16(9-17)15(3)26/h4-11,15,26H,12H2,1-3H3,(H,24,27).

What are the key properties of N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide?

N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1-hydroxyethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172657449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).