tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron

C21H24FeN6O6 — CID 163419095

IUPACtris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
SMILESCNC(=O)c1ccncc1O.CNC(=O)c1ccncc1O.CNC(=O)c1ccncc1O.[Fe]
InChIInChI=1S/3C7H8N2O2.Fe/c3*1-8-7(11)5-2-3-9-4-6(5)10;/h3*2-4,10H,1H3,(H,8,11);
InChIKeyNVBHPEYPFQEONR-UHFFFAOYSA-N
MW512.30 g/mol
LogP0.44
Rot. Bonds3

About tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron

tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron (PubChem CID 163419095) has the molecular formula C21H24FeN6O6 and a molecular weight of 512.30 g/mol. Its IUPAC name is tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron.

Molecular Properties

Compound Nametris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
PubChem CID163419095
Molecular FormulaC21H24FeN6O6
Molecular Weight512.30 g/mol
Exact Mass512.11
IUPAC Nametris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
SMILESCNC(=O)c1ccncc1O.CNC(=O)c1ccncc1O.CNC(=O)c1ccncc1O.[Fe]
InChIInChI=1S/3C7H8N2O2.Fe/c3*1-8-7(11)5-2-3-9-4-6(5)10;/h3*2-4,10H,1H3,(H,8,11);
InChIKeyNVBHPEYPFQEONR-UHFFFAOYSA-N
XLogP0.44
TPSA186.66 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.30
LogP ≤ 50.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron 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

4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
3-hydroxy-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 81443107
3-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 80706848
N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
3-hydroxy-N-(2-methylbutan-2-yl)pyridine-4-carboxamide
CID 81443662
N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide
CID 81445991
3-hydroxy-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 81443340
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 113252821
N-(2-acetylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446255
N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide
CID 81445583

Frequently Asked Questions

What is the IUPAC name of tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron?
The IUPAC name of tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron (CID 163419095) is tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron.
What is the SMILES notation for tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron?
The canonical SMILES for tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron is CNC(=O)c1ccncc1O.CNC(=O)c1ccncc1O.CNC(=O)c1ccncc1O.[Fe].
What is the InChIKey of tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron?
The InChIKey is NVBHPEYPFQEONR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H8N2O2.Fe/c3*1-8-7(11)5-2-3-9-4-6(5)10;/h3*2-4,10H,1H3,(H,8,11);.
What are the key properties of tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron?
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron has a molecular weight of 512.30 g/mol, XLogP of 0.44, 3 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron is sourced from PubChem (CID 163419095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).