methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate

C28H40N6O4 — CID 121300872

About methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate

methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate (PubChem CID 121300872) has the molecular formula C28H40N6O4 and a molecular weight of 524.67 g/mol. Its IUPAC name is methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate
• PubChem CID: 121300872
• Molecular Formula: C28H40N6O4
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.31
• IUPAC Name: methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate
• SMILES: CCCN1CCN(Cc2cccc(C(=O)OC)n2)C2C1N(Cc1cccc(C(=O)OC)n1)CCN2CCC
• InChI: InChI=1S/C28H40N6O4/c1-5-13-31-15-17-34(20-22-10-8-12-24(30-22)28(36)38-4)26-25(31)33(18-16-32(26)14-6-2)19-21-9-7-11-23(29-21)27(35)37-3/h7-12,25-26H,5-6,13-20H2,1-4H3
• InChIKey: NUURDSYIYHNDFT-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 91.34 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.67
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate?

The IUPAC name of methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate (CID 121300872) is methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate?

The canonical SMILES for methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate is CCCN1CCN(Cc2cccc(C(=O)OC)n2)C2C1N(Cc1cccc(C(=O)OC)n1)CCN2CCC.

What is the InChIKey of methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate?

The InChIKey is NUURDSYIYHNDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O4/c1-5-13-31-15-17-34(20-22-10-8-12-24(30-22)28(36)38-4)26-25(31)33(18-16-32(26)14-6-2)19-21-9-7-11-23(29-21)27(35)37-3/h7-12,25-26H,5-6,13-20H2,1-4H3.

What are the key properties of methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate?

methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate has a molecular weight of 524.67 g/mol, XLogP of 2.46, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[[1-[(6-methoxycarbonyl-2-pyridinyl)methyl]-4,8-dipropyl-2,3,4a,6,7,8a-hexahydropyrazino[2,3-b]pyrazin-5-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 121300872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).