N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C23H26N6O2 — CID 91588906

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 91588906) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 91588906
• Molecular Formula: C23H26N6O2
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.21
• IUPAC Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• SMILES: Cc1nc(N)ccc1CNC(=O)C1CCc2cnc(NC(C)c3ccccc3)c(=O)n21
• InChI: InChI=1S/C23H26N6O2/c1-14(16-6-4-3-5-7-16)28-21-23(31)29-18(13-25-21)9-10-19(29)22(30)26-12-17-8-11-20(24)27-15(17)2/h3-8,11,13-14,19H,9-10,12H2,1-2H3,(H2,24,27)(H,25,28)(H,26,30)
• InChIKey: VAJPJPCSQJTHBD-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 114.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 91588906) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1nc(N)ccc1CNC(=O)C1CCc2cnc(NC(C)c3ccccc3)c(=O)n21.

What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is VAJPJPCSQJTHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-14(16-6-4-3-5-7-16)28-21-23(31)29-18(13-25-21)9-10-19(29)22(30)26-12-17-8-11-20(24)27-15(17)2/h3-8,11,13-14,19H,9-10,12H2,1-2H3,(H2,24,27)(H,25,28)(H,26,30).

What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 91588906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).