N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline

C43H49N7O6 — CID 178056483

About N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline

N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline (PubChem CID 178056483) has the molecular formula C43H49N7O6 and a molecular weight of 759.91 g/mol. Its IUPAC name is N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline.

Molecular Properties

• Compound Name: N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline
• PubChem CID: 178056483
• Molecular Formula: C43H49N7O6
• Molecular Weight: 759.91 g/mol
• Exact Mass: 759.37
• IUPAC Name: N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline
• SMILES: CNc1ccccc1.Cc1cc(O)c(OCCCC(=O)Nc2cc(C(=O)Nc3ccc(-c4cc(C=O)n(C)c4)cc3)n(C)c2)cc1/N=C/[C@@H]1CCCCN1C=O
• InChI: InChI=1S/C36H40N6O6.C7H9N/c1-24-15-33(45)34(18-31(24)37-19-29-7-4-5-13-42(29)23-44)48-14-6-8-35(46)38-28-17-32(41(3)21-28)36(47)39-27-11-9-25(10-12-27)26-16-30(22-43)40(2)20-26;1-8-7-5-3-2-4-6-7/h9-12,15-23,29,45H,4-8,13-14H2,1-3H3,(H,38,46)(H,39,47);2-6,8H,1H3/b37-19+;/t29-;/m0./s1
• InChIKey: PYOQZJJXZGLLEP-LYDXFTEXSA-N
• XLogP: 7.35
• TPSA: 159.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	759.91
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline?

The IUPAC name of N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline (CID 178056483) is N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline.

What is the SMILES notation for N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline?

The canonical SMILES for N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline is CNc1ccccc1.Cc1cc(O)c(OCCCC(=O)Nc2cc(C(=O)Nc3ccc(-c4cc(C=O)n(C)c4)cc3)n(C)c2)cc1/N=C/[C@@H]1CCCCN1C=O.

What is the InChIKey of N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline?

The InChIKey is PYOQZJJXZGLLEP-LYDXFTEXSA-N. The full InChI is InChI=1S/C36H40N6O6.C7H9N/c1-24-15-33(45)34(18-31(24)37-19-29-7-4-5-13-42(29)23-44)48-14-6-8-35(46)38-28-17-32(41(3)21-28)36(47)39-27-11-9-25(10-12-27)26-16-30(22-43)40(2)20-26;1-8-7-5-3-2-4-6-7/h9-12,15-23,29,45H,4-8,13-14H2,1-3H3,(H,38,46)(H,39,47);2-6,8H,1H3/b37-19+;/t29-;/m0./s1.

What are the key properties of N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline?

N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline has a molecular weight of 759.91 g/mol, XLogP of 7.35, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-formyl-1-methylpyrrol-3-yl)phenyl]-4-[4-[5-[[(2S)-1-formylpiperidin-2-yl]methylideneamino]-2-hydroxy-4-methylphenoxy]butanoylamino]-1-methylpyrrole-2-carboxamide;N-methylaniline is sourced from PubChem (CID 178056483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).