N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide

C₁₈H₂₂N₄O₃ — CID 91920410

About N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide

N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 91920410) has the molecular formula C₁₈H₂₂N₄O₃ and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide
• PubChem CID: 91920410
• Molecular Formula: C₁₈H₂₂N₄O₃
• Molecular Weight: 342.40 g/mol
• Exact Mass: 342.17
• IUPAC Name: N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide
• SMILES: COCCN1C(=O)c2cccn2CC1CNC(=O)c1ccc(C)nc1
• InChI: InChI=1S/C18H22N4O3/c1-13-5-6-14(10-19-13)17(23)20-11-15-12-21-7-3-4-16(21)18(24)22(15)8-9-25-2/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,20,23)
• InChIKey: FJSVSRPDOZTKSD-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.40
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide (CID 91920410) is N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide is COCCN1C(=O)c2cccn2CC1CNC(=O)c1ccc(C)nc1.

What is the InChIKey of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide?

The InChIKey is FJSVSRPDOZTKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-5-6-14(10-19-13)17(23)20-11-15-12-21-7-3-4-16(21)18(24)22(15)8-9-25-2/h3-7,10,15H,8-9,11-12H2,1-2H3,(H,20,23).

What are the key properties of N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide?

N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 91920410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91920410 — identifiers, structure, computed properties (public domain)

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