N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide

C35H42N6O6 — CID 123293684

About N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 123293684) has the molecular formula C35H42N6O6 and a molecular weight of 642.76 g/mol. Its IUPAC name is N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
• PubChem CID: 123293684
• Molecular Formula: C35H42N6O6
• Molecular Weight: 642.76 g/mol
• Exact Mass: 642.32
• IUPAC Name: N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
• SMILES: CCC(C=O)(CC(=O)NCc1ccccc1)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(N2CCOCC2)nc1
• InChI: InChI=1S/C35H42N6O6/c1-3-35(24-42,21-31(43)37-22-27-12-8-5-9-13-27)40-32(44)25(2)38-34(46)29(20-26-10-6-4-7-11-26)39-33(45)28-14-15-30(36-23-28)41-16-18-47-19-17-41/h4-15,23-25,29H,3,16-22H2,1-2H3,(H,37,43)(H,38,46)(H,39,45)(H,40,44)
• InChIKey: TZQROSSRUJURPF-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 158.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	642.76
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?

The IUPAC name of N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 123293684) is N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?

The canonical SMILES for N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide is CCC(C=O)(CC(=O)NCc1ccccc1)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(N2CCOCC2)nc1.

What is the InChIKey of N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?

The InChIKey is TZQROSSRUJURPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N6O6/c1-3-35(24-42,21-31(43)37-22-27-12-8-5-9-13-27)40-32(44)25(2)38-34(46)29(20-26-10-6-4-7-11-26)39-33(45)28-14-15-30(36-23-28)41-16-18-47-19-17-41/h4-15,23-25,29H,3,16-22H2,1-2H3,(H,37,43)(H,38,46)(H,39,45)(H,40,44).

What are the key properties of N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?

N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 642.76 g/mol, XLogP of 1.93, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 123293684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).