4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide

C24H27N5O2 — CID 172662318

About 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 172662318) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 172662318
• Molecular Formula: C24H27N5O2
• Molecular Weight: 417.51 g/mol
• Exact Mass: 417.22
• IUPAC Name: 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1cnc(Cn2ccc(C)c(C(=O)Nc3cccc(CN4CCCC4)c3)c2=O)cn1
• InChI: InChI=1S/C24H27N5O2/c1-17-8-11-29(16-21-14-25-18(2)13-26-21)24(31)22(17)23(30)27-20-7-5-6-19(12-20)15-28-9-3-4-10-28/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3,(H,27,30)
• InChIKey: VLRAWDKNJZZPFT-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.51
LogP ≤ 5	3.15
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-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide (CID 172662318) is 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for 4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide is Cc1cnc(Cn2ccc(C)c(C(=O)Nc3cccc(CN4CCCC4)c3)c2=O)cn1.

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

The InChIKey is VLRAWDKNJZZPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-8-11-29(16-21-14-25-18(2)13-26-21)24(31)22(17)23(30)27-20-7-5-6-19(12-20)15-28-9-3-4-10-28/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3,(H,27,30).

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

4-methyl-1-[(5-methylpyrazin-2-yl)methyl]-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 3.15, 6 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-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 172662318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).