4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

C22H28N6O2 — CID 172663868

About 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 172663868) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
• PubChem CID: 172663868
• Molecular Formula: C22H28N6O2
• Molecular Weight: 408.51 g/mol
• Exact Mass: 408.23
• IUPAC Name: 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
• SMILES: Cc1cnc(Cn2ccc(C)c(C(=O)NCCCn3ccnc3C(C)C)c2=O)cn1
• InChI: InChI=1S/C22H28N6O2/c1-15(2)20-23-8-11-27(20)9-5-7-24-21(29)19-16(3)6-10-28(22(19)30)14-18-13-25-17(4)12-26-18/h6,8,10-13,15H,5,7,9,14H2,1-4H3,(H,24,29)
• InChIKey: YEEJYNQKRSPNAA-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.51
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?

The IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (CID 172663868) is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.

What is the SMILES notation for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?

The canonical SMILES for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is Cc1cnc(Cn2ccc(C)c(C(=O)NCCCn3ccnc3C(C)C)c2=O)cn1.

What is the InChIKey of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?

The InChIKey is YEEJYNQKRSPNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-15(2)20-23-8-11-27(20)9-5-7-24-21(29)19-16(3)6-10-28(22(19)30)14-18-13-25-17(4)12-26-18/h6,8,10-13,15H,5,7,9,14H2,1-4H3,(H,24,29).

What are the key properties of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 172663868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).