N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

C20H17N3O5 — CID 108925899

IUPACN-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1)c1cccnc1
InChIInChI=1S/C20H17N3O5/c24-16-8-14(9-17(25)18(16)26)20(28)23-15-6-2-1-4-12(15)11-22-19(27)13-5-3-7-21-10-13/h1-10,24-26H,11H2,(H,22,27)(H,23,28)
InChIKeyWXLSYNJIGTZZQH-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.38
Rot. Bonds5

About N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide

N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108925899) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108925899
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1)c1cccnc1
InChIInChI=1S/C20H17N3O5/c24-16-8-14(9-17(25)18(16)26)20(28)23-15-6-2-1-4-12(15)11-22-19(27)13-5-3-7-21-10-13/h1-10,24-26H,11H2,(H,22,27)(H,23,28)
InChIKeyWXLSYNJIGTZZQH-UHFFFAOYSA-N
XLogP2.38
TPSA131.78 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]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-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925872
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926099
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925855
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108925899) is N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1)c1cccnc1.
What is the InChIKey of N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is WXLSYNJIGTZZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c24-16-8-14(9-17(25)18(16)26)20(28)23-15-6-2-1-4-12(15)11-22-19(27)13-5-3-7-21-10-13/h1-10,24-26H,11H2,(H,22,27)(H,23,28).
What are the key properties of N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).