4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide

C24H28N4O3 — CID 172673147

About 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 172673147) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide
• PubChem CID: 172673147
• Molecular Formula: C24H28N4O3
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.22
• IUPAC Name: 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide
• SMILES: CCCOc1ccccc1CCNC(=O)c1c(C)ccn(Cc2cnc(C)cn2)c1=O
• InChI: InChI=1S/C24H28N4O3/c1-4-13-31-21-8-6-5-7-19(21)9-11-25-23(29)22-17(2)10-12-28(24(22)30)16-20-15-26-18(3)14-27-20/h5-8,10,12,14-15H,4,9,11,13,16H2,1-3H3,(H,25,29)
• InChIKey: VEPPARKJWHMWCS-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide (CID 172673147) is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide.

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

The canonical SMILES for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide is CCCOc1ccccc1CCNC(=O)c1c(C)ccn(Cc2cnc(C)cn2)c1=O.

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

The InChIKey is VEPPARKJWHMWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-13-31-21-8-6-5-7-19(21)9-11-25-23(29)22-17(2)10-12-28(24(22)30)16-20-15-26-18(3)14-27-20/h5-8,10,12,14-15H,4,9,11,13,16H2,1-3H3,(H,25,29).

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

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[2-(2-propoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 172673147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).