1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C36H42N6O5 — CID 177420731

About 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 177420731) has the molecular formula C36H42N6O5 and a molecular weight of 638.77 g/mol. Its IUPAC name is 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 177420731
• Molecular Formula: C36H42N6O5
• Molecular Weight: 638.77 g/mol
• Exact Mass: 638.32
• IUPAC Name: 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: CCC(C)C(NC(=O)c1cn(CC)c2nc(C)ccc2c1=O)C(=O)NC(Cc1ccccc1)C(=O)N/N=C(\C)c1ccc(OC)cc1
• InChI: InChI=1S/C36H42N6O5/c1-7-22(3)31(39-34(44)29-21-42(8-2)33-28(32(29)43)19-14-23(4)37-33)36(46)38-30(20-25-12-10-9-11-13-25)35(45)41-40-24(5)26-15-17-27(47-6)18-16-26/h9-19,21-22,30-31H,7-8,20H2,1-6H3,(H,38,46)(H,39,44)(H,41,45)/b40-24+
• InChIKey: PLRAJXYIFZWFJK-BKATUZMVSA-N
• XLogP: 4.15
• TPSA: 143.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	638.77
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 177420731) is 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCC(C)C(NC(=O)c1cn(CC)c2nc(C)ccc2c1=O)C(=O)NC(Cc1ccccc1)C(=O)N/N=C(\C)c1ccc(OC)cc1.

What is the InChIKey of 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is PLRAJXYIFZWFJK-BKATUZMVSA-N. The full InChI is InChI=1S/C36H42N6O5/c1-7-22(3)31(39-34(44)29-21-42(8-2)33-28(32(29)43)19-14-23(4)37-33)36(46)38-30(20-25-12-10-9-11-13-25)35(45)41-40-24(5)26-15-17-27(47-6)18-16-26/h9-19,21-22,30-31H,7-8,20H2,1-6H3,(H,38,46)(H,39,44)(H,41,45)/b40-24+.

What are the key properties of 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?

1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 638.77 g/mol, XLogP of 4.15, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 177420731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).