3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide

C58H43N7O — CID 101025449

IUPAC3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide
SMILESCN1C=CC(=C2C=CN(CCC(=O)Nc3ccc(/C4=C5\C=CC(=N5)/C(c5ccccc5)=C5/C=CC(=N5)/C(c5ccccc5)=C5/C=CC(=N5)/C(c5ccccc5)=C5/C=CC4=N5)cc3)C=C2)C=C1
InChIInChI=1S/C58H43N7O/c1-64-34-29-39(30-35-64)40-31-36-65(37-32-40)38-33-54(66)59-45-19-17-44(18-20-45)58-52-27-25-50(62-52)56(42-13-7-3-8-14-42)48-23-21-46(60-48)55(41-11-5-2-6-12-41)47-22-24-49(61-47)57(43-15-9-4-10-16-43)51-26-28-53(58)63-51/h2-32,34-37H,33,38H2,1H3,(H,59,66)/b55-46-,55-47-,56-48-,56-50-,57-49-,57-51-,58-52-,58-53-
InChIKeyRKSFFYAETLDBNV-HQPWRKQGSA-N
MW854.03 g/mol
LogP11.63
Rot. Bonds8

About 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide

3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide (PubChem CID 101025449) has the molecular formula C58H43N7O and a molecular weight of 854.03 g/mol. Its IUPAC name is 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide
PubChem CID101025449
Molecular FormulaC58H43N7O
Molecular Weight854.03 g/mol
Exact Mass853.35
IUPAC Name3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide
SMILESCN1C=CC(=C2C=CN(CCC(=O)Nc3ccc(/C4=C5\C=CC(=N5)/C(c5ccccc5)=C5/C=CC(=N5)/C(c5ccccc5)=C5/C=CC(=N5)/C(c5ccccc5)=C5/C=CC4=N5)cc3)C=C2)C=C1
InChIInChI=1S/C58H43N7O/c1-64-34-29-39(30-35-64)40-31-36-65(37-32-40)38-33-54(66)59-45-19-17-44(18-20-45)58-52-27-25-50(62-52)56(42-13-7-3-8-14-42)48-23-21-46(60-48)55(41-11-5-2-6-12-41)47-22-24-49(61-47)57(43-15-9-4-10-16-43)51-26-28-53(58)63-51/h2-32,34-37H,33,38H2,1H3,(H,59,66)/b55-46-,55-47-,56-48-,56-50-,57-49-,57-51-,58-52-,58-53-
InChIKeyRKSFFYAETLDBNV-HQPWRKQGSA-N
XLogP11.63
TPSA85.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.03
LogP ≤ 511.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide?
The IUPAC name of 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide (CID 101025449) is 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide?
The canonical SMILES for 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide is CN1C=CC(=C2C=CN(CCC(=O)Nc3ccc(/C4=C5\C=CC(=N5)/C(c5ccccc5)=C5/C=CC(=N5)/C(c5ccccc5)=C5/C=CC(=N5)/C(c5ccccc5)=C5/C=CC4=N5)cc3)C=C2)C=C1.
What is the InChIKey of 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide?
The InChIKey is RKSFFYAETLDBNV-HQPWRKQGSA-N. The full InChI is InChI=1S/C58H43N7O/c1-64-34-29-39(30-35-64)40-31-36-65(37-32-40)38-33-54(66)59-45-19-17-44(18-20-45)58-52-27-25-50(62-52)56(42-13-7-3-8-14-42)48-23-21-46(60-48)55(41-11-5-2-6-12-41)47-22-24-49(61-47)57(43-15-9-4-10-16-43)51-26-28-53(58)63-51/h2-32,34-37H,33,38H2,1H3,(H,59,66)/b55-46-,55-47-,56-48-,56-50-,57-49-,57-51-,58-52-,58-53-.
What are the key properties of 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide?
3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide has a molecular weight of 854.03 g/mol, XLogP of 11.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methyl-4-pyridinylidene)-1-pyridinyl]-N-[4-(10,15,20-triphenylporphyrin-5-yl)phenyl]propanamide is sourced from PubChem (CID 101025449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).