N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide

C27H28N6O4 — CID 90927762

About N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide

N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide (PubChem CID 90927762) has the molecular formula C27H28N6O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide
• PubChem CID: 90927762
• Molecular Formula: C27H28N6O4
• Molecular Weight: 500.56 g/mol
• Exact Mass: 500.22
• IUPAC Name: N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide
• SMILES: CC(C)CC(NC(=O)c1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1
• InChI: InChI=1S/C27H28N6O4/c1-16(2)13-20(31-25(35)21-14-29-17-7-3-4-8-18(17)30-21)27(37)32-12-10-22-24(32)23(34)15-33(22)26(36)19-9-5-6-11-28-19/h3-9,11,14,16,20,22,24H,10,12-13,15H2,1-2H3,(H,31,35)
• InChIKey: YIDUDOCBIAVKIF-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 125.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.56
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide?

The IUPAC name of N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide (CID 90927762) is N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide.

What is the SMILES notation for N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide?

The canonical SMILES for N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide is CC(C)CC(NC(=O)c1cnc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1.

What is the InChIKey of N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide?

The InChIKey is YIDUDOCBIAVKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4/c1-16(2)13-20(31-25(35)21-14-29-17-7-3-4-8-18(17)30-21)27(37)32-12-10-22-24(32)23(34)15-33(22)26(36)19-9-5-6-11-28-19/h3-9,11,14,16,20,22,24H,10,12-13,15H2,1-2H3,(H,31,35).

What are the key properties of N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide?

N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 90927762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).