5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

C40H52N8O8 — CID 155037748

About 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide

5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (PubChem CID 155037748) has the molecular formula C40H52N8O8 and a molecular weight of 772.90 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• PubChem CID: 155037748
• Molecular Formula: C40H52N8O8
• Molecular Weight: 772.90 g/mol
• Exact Mass: 772.39
• IUPAC Name: 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• SMILES: CNC(=O)C(CCC=O)N1C(=O)c2cccc(NCCN(C)CCNC(=O)N3CCc4c(-c5cc(OC)c(CN(C)C)c(OC)c5)cn(C)c(=O)c4C3)c2C1=O
• InChI: InChI=1S/C40H52N8O8/c1-41-36(50)32(12-9-19-49)48-38(52)27-10-8-11-31(35(27)39(48)53)42-14-17-45(4)18-15-43-40(54)47-16-13-26-28(23-46(5)37(51)29(26)24-47)25-20-33(55-6)30(22-44(2)3)34(21-25)56-7/h8,10-11,19-21,23,32,42H,9,12-18,22,24H2,1-7H3,(H,41,50)(H,43,54)
• InChIKey: KEKICWAJFYEYHB-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 174.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.90
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The IUPAC name of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide (CID 155037748) is 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is CNC(=O)C(CCC=O)N1C(=O)c2cccc(NCCN(C)CCNC(=O)N3CCc4c(-c5cc(OC)c(CN(C)C)c(OC)c5)cn(C)c(=O)c4C3)c2C1=O.

What is the InChIKey of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

The InChIKey is KEKICWAJFYEYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52N8O8/c1-41-36(50)32(12-9-19-49)48-38(52)27-10-8-11-31(35(27)39(48)53)42-14-17-45(4)18-15-43-40(54)47-16-13-26-28(23-46(5)37(51)29(26)24-47)25-20-33(55-6)30(22-44(2)3)34(21-25)56-7/h8,10-11,19-21,23,32,42H,9,12-18,22,24H2,1-7H3,(H,41,50)(H,43,54).

What are the key properties of 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide?

5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide has a molecular weight of 772.90 g/mol, XLogP of 1.93, 17 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-7-methyl-N-[2-[methyl-[2-[[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]amino]ethyl]amino]ethyl]-8-oxo-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 155037748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).