5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide

C23H24N4O4 — CID 87108554

IUPAC5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(-c2cncc(C(=O)NCCOc3ccc(C(=O)NO)cc3)c2)cc1
InChIInChI=1S/C23H24N4O4/c1-27(2)20-7-3-16(4-8-20)18-13-19(15-24-14-18)22(28)25-11-12-31-21-9-5-17(6-10-21)23(29)26-30/h3-10,13-15,30H,11-12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDISACWVFSPDPOV-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.74
Rot. Bonds8

About 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide

5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide (PubChem CID 87108554) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide
PubChem CID87108554
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(-c2cncc(C(=O)NCCOc3ccc(C(=O)NO)cc3)c2)cc1
InChIInChI=1S/C23H24N4O4/c1-27(2)20-7-3-16(4-8-20)18-13-19(15-24-14-18)22(28)25-11-12-31-21-9-5-17(6-10-21)23(29)26-30/h3-10,13-15,30H,11-12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyDISACWVFSPDPOV-UHFFFAOYSA-N
XLogP2.74
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]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

5-[4-(dimethylamino)phenyl]-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166368586
N-(2-amino-2-ethylbutyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 119644073
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
2-[4-[2-[[5-[2-[4-(carboxymethoxy)phenoxy]ethylcarbamoyl]pyridine-3-carbonyl]amino]ethoxy]phenoxy]acetic acid
CID 132599624
N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119998431
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793
5-(tert-butylamino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-3-carboxamide
CID 109239160
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
4-(dimethylamino)-N-[2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]benzamide
CID 121057790

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide (CID 87108554) is 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide is CN(C)c1ccc(-c2cncc(C(=O)NCCOc3ccc(C(=O)NO)cc3)c2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide?
The InChIKey is DISACWVFSPDPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-27(2)20-7-3-16(4-8-20)18-13-19(15-24-14-18)22(28)25-11-12-31-21-9-5-17(6-10-21)23(29)26-30/h3-10,13-15,30H,11-12H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide?
5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 87108554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).