5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid

C12H14N4O2 — CID 82535210

IUPAC5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NCCCn2ccnc2)c1
InChIInChI=1S/C12H14N4O2/c17-12(18)10-6-11(8-14-7-10)15-2-1-4-16-5-3-13-9-16/h3,5-9,15H,1-2,4H2,(H,17,18)
InChIKeyURLFNBZYDBUUIG-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.48
Rot. Bonds6

About 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid

5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid (PubChem CID 82535210) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid
PubChem CID82535210
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NCCCn2ccnc2)c1
InChIInChI=1S/C12H14N4O2/c17-12(18)10-6-11(8-14-7-10)15-2-1-4-16-5-3-13-9-16/h3,5-9,15H,1-2,4H2,(H,17,18)
InChIKeyURLFNBZYDBUUIG-UHFFFAOYSA-N
XLogP1.48
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid 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-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
4-amino-3-(3-imidazol-1-ylpropylamino)benzoic acid
CID 82784816
4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
CID 114392088
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
4-(2-imidazol-1-ylethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709977
2-chloro-4-(2-imidazol-1-ylethylamino)benzoic acid
CID 62945455
2-bromo-4-(2-imidazol-1-ylethylamino)benzoic acid
CID 107281777
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 94963622
5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid
CID 82535182
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carboxylic acid
CID 107553286
3-(2-imidazol-1-ylethylsulfamoyl)-4-methylbenzoic acid
CID 60681289

Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid (CID 82535210) is 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid is O=C(O)c1cncc(NCCCn2ccnc2)c1.
What is the InChIKey of 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid?
The InChIKey is URLFNBZYDBUUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(18)10-6-11(8-14-7-10)15-2-1-4-16-5-3-13-9-16/h3,5-9,15H,1-2,4H2,(H,17,18).
What are the key properties of 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid?
5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82535210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).