N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

C24H30N6O2 — CID 176689658

About N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (PubChem CID 176689658) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
• PubChem CID: 176689658
• Molecular Formula: C24H30N6O2
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.24
• IUPAC Name: N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(N2CCC(N3CCC(c4cn5ccc(C)c5c(=O)[nH]4)C3)CC2)cn1
• InChI: InChI=1S/C24H30N6O2/c1-16-5-9-30-15-21(27-24(32)22(16)30)17-6-10-29(14-17)18-7-11-28(12-8-18)19-3-4-20(26-13-19)23(31)25-2/h3-5,9,13,15,17-18H,6-8,10-12,14H2,1-2H3,(H,25,31)(H,27,32)
• InChIKey: KRLSMOMDDQTRTR-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 85.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?

The IUPAC name of N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide (CID 176689658) is N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCC(N3CCC(c4cn5ccc(C)c5c(=O)[nH]4)C3)CC2)cn1.

What is the InChIKey of N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?

The InChIKey is KRLSMOMDDQTRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-5-9-30-15-21(27-24(32)22(16)30)17-6-10-29(14-17)18-7-11-28(12-8-18)19-3-4-20(26-13-19)23(31)25-2/h3-5,9,13,15,17-18H,6-8,10-12,14H2,1-2H3,(H,25,31)(H,27,32).

What are the key properties of N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide?

N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[4-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)pyrrolidin-1-yl]piperidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176689658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).