N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide

C22H20BrN3O3 — CID 110510107

IUPACN-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C22H20BrN3O3/c1-2-28-21-12-17(13-25-26-22(27)18-4-3-11-24-14-18)7-10-20(21)29-15-16-5-8-19(23)9-6-16/h3-14H,2,15H2,1H3,(H,26,27)/b25-13-
InChIKeyMZZHBLDLPISUSQ-MXAYSNPKSA-N
MW454.32 g/mol
LogP4.59
Rot. Bonds8

About N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide

N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 110510107) has the molecular formula C22H20BrN3O3 and a molecular weight of 454.32 g/mol. Its IUPAC name is N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID110510107
Molecular FormulaC22H20BrN3O3
Molecular Weight454.32 g/mol
Exact Mass453.07
IUPAC NameN-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C22H20BrN3O3/c1-2-28-21-12-17(13-25-26-22(27)18-4-3-11-24-14-18)7-10-20(21)29-15-16-5-8-19(23)9-6-16/h3-14H,2,15H2,1H3,(H,26,27)/b25-13-
InChIKeyMZZHBLDLPISUSQ-MXAYSNPKSA-N
XLogP4.59
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332800
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126320468
N-[(Z)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94829935
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenyl)acetamide
CID 126368592
N-[1-[2-[[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3500177
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126325475
3-ethoxy-N-[(E)-[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327983
N-[(E)-[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126324291
2-[(4-bromophenyl)methoxy]-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]benzamide
CID 86771777
N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 3254715
N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 139070788

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide (CID 110510107) is N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide is CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is MZZHBLDLPISUSQ-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H20BrN3O3/c1-2-28-21-12-17(13-25-26-22(27)18-4-3-11-24-14-18)7-10-20(21)29-15-16-5-8-19(23)9-6-16/h3-14H,2,15H2,1H3,(H,26,27)/b25-13-.
What are the key properties of N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide?
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 454.32 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 110510107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).