2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide

C29H24N4O2 — CID 135804166

IUPAC2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2cnc(OCc3ccccc3)cc12)c1ccccc1Cc1ccccc1
InChIInChI=1S/C29H24N4O2/c34-29(25-14-8-7-13-23(25)15-21-9-3-1-4-10-21)33-32-18-24-17-30-27-19-31-28(16-26(24)27)35-20-22-11-5-2-6-12-22/h1-14,16-19,30H,15,20H2,(H,33,34)/b32-18+
InChIKeyQOPWTRAMLQLTRR-KCSSXMTESA-N
MW460.54 g/mol
LogP5.50
Rot. Bonds8

About 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide

2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide (PubChem CID 135804166) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
PubChem CID135804166
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1c[nH]c2cnc(OCc3ccccc3)cc12)c1ccccc1Cc1ccccc1
InChIInChI=1S/C29H24N4O2/c34-29(25-14-8-7-13-23(25)15-21-9-3-1-4-10-21)33-32-18-24-17-30-27-19-31-28(16-26(24)27)35-20-22-11-5-2-6-12-22/h1-14,16-19,30H,15,20H2,(H,33,34)/b32-18+
InChIKeyQOPWTRAMLQLTRR-KCSSXMTESA-N
XLogP5.50
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide with MolForge

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Related Compounds

4-fluoro-N-[(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide
CID 135455753
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 136865247
N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 136765213
3-hydroxy-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]naphthalene-2-carboxamide
CID 135804216
4-chloro-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069607
3-iodo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069759
3-bromo-N-[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 137069666
4-methoxy-N-[(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiophene-3-carboxamide
CID 135414083
3-fluoro-N-[(E)-(6-phenylmethoxy-1H-indol-3-yl)methylideneamino]benzamide
CID 135804227
[(Z)-(5-phenylmethoxy-1H-indol-3-yl)methylideneamino]thiourea
CID 136836360
2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6285866
2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135479703

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide (CID 135804166) is 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide is O=C(N/N=C/c1c[nH]c2cnc(OCc3ccccc3)cc12)c1ccccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide?
The InChIKey is QOPWTRAMLQLTRR-KCSSXMTESA-N. The full InChI is InChI=1S/C29H24N4O2/c34-29(25-14-8-7-13-23(25)15-21-9-3-1-4-10-21)33-32-18-24-17-30-27-19-31-28(16-26(24)27)35-20-22-11-5-2-6-12-22/h1-14,16-19,30H,15,20H2,(H,33,34)/b32-18+.
What are the key properties of 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide?
2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide has a molecular weight of 460.54 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(E)-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 135804166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).