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

C20H19FN4O3 — CID 172663600

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

N-[5-fluoro-2-(hydroxymethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 172663600) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[5-fluoro-2-(hydroxymethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-fluoro-2-(hydroxymethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 172663600
• Molecular Formula: C20H19FN4O3
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.14
• IUPAC Name: N-[5-fluoro-2-(hydroxymethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide
• SMILES: Cc1cnc(Cn2ccc(C)c(C(=O)Nc3cc(F)ccc3CO)c2=O)cn1
• InChI: InChI=1S/C20H19FN4O3/c1-12-5-6-25(10-16-9-22-13(2)8-23-16)20(28)18(12)19(27)24-17-7-15(21)4-3-14(17)11-26/h3-9,26H,10-11H2,1-2H3,(H,24,27)
• InChIKey: CUVLAPXTWQVMGY-UHFFFAOYSA-N
• XLogP: 2.19
• 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	382.40
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[5-fluoro-2-(hydroxymethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide (CID 172663600) is N-[5-fluoro-2-(hydroxymethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for N-[5-fluoro-2-(hydroxymethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is Cc1cnc(Cn2ccc(C)c(C(=O)Nc3cc(F)ccc3CO)c2=O)cn1.

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

The InChIKey is CUVLAPXTWQVMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-12-5-6-25(10-16-9-22-13(2)8-23-16)20(28)18(12)19(27)24-17-7-15(21)4-3-14(17)11-26/h3-9,26H,10-11H2,1-2H3,(H,24,27).

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

N-[5-fluoro-2-(hydroxymethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-fluoro-2-(hydroxymethyl)phenyl]-4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172663600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).