6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid

C12H14N4O2 — CID 167958178

IUPAC6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCn1cncc1CCNc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H14N4O2/c1-16-8-13-7-10(16)4-5-14-11-3-2-9(6-15-11)12(17)18/h2-3,6-8H,4-5H2,1H3,(H,14,15)(H,17,18)
InChIKeyYQHYQLFNNGWEHA-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.17
Rot. Bonds5

About 6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid

6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 167958178) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID167958178
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCn1cncc1CCNc1ccc(C(=O)O)cn1
InChIInChI=1S/C12H14N4O2/c1-16-8-13-7-10(16)4-5-14-11-3-2-9(6-15-11)12(17)18/h2-3,6-8H,4-5H2,1H3,(H,14,15)(H,17,18)
InChIKeyYQHYQLFNNGWEHA-UHFFFAOYSA-N
XLogP1.17
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-(3-methylimidazol-4-yl)ethylamino]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

6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
6-(nonylamino)pyridine-3-carboxylic acid
CID 20503604
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
6-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylic acid
CID 107164229
6-(4-propan-2-yloxybutylamino)pyridine-3-carboxylic acid
CID 106003848
6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-3-carboxylic acid
CID 114468121
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852
6-[3-(cyclopropylamino)propylamino]pyridine-3-carboxylic acid
CID 61404521
1-[(3-methylimidazol-4-yl)methyl]pyrrole-3-carboxylic acid
CID 79103169
4-tert-butyl-N-[(3R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-3-yl]benzamide
CID 167817944
2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]quinoline-6-carboxamide
CID 86798644
3-[(3-methylimidazol-4-yl)methylamino]-4-nitrobenzoic acid
CID 172762433

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid (CID 167958178) is 6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid is Cn1cncc1CCNc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is YQHYQLFNNGWEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-8-13-7-10(16)4-5-14-11-3-2-9(6-15-11)12(17)18/h2-3,6-8H,4-5H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid?
6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylimidazol-4-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 167958178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).