2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid

C13H15N3O2 — CID 114198391

IUPAC2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid
SMILESCCCc1nccn1Cc1ncccc1C(=O)O
InChIInChI=1S/C13H15N3O2/c1-2-4-12-15-7-8-16(12)9-11-10(13(17)18)5-3-6-14-11/h3,5-8H,2,4,9H2,1H3,(H,17,18)
InChIKeyPSFNYVPYFCKQGF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.98
Rot. Bonds5

About 2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid

2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid (PubChem CID 114198391) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid
PubChem CID114198391
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid
SMILESCCCc1nccn1Cc1ncccc1C(=O)O
InChIInChI=1S/C13H15N3O2/c1-2-4-12-15-7-8-16(12)9-11-10(13(17)18)5-3-6-14-11/h3,5-8H,2,4,9H2,1H3,(H,17,18)
InChIKeyPSFNYVPYFCKQGF-UHFFFAOYSA-N
XLogP1.98
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-propylimidazol-1-yl)methyl]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

2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-[1-[(3-methyl-2-pyridinyl)methyl]imidazol-2-yl]ethanamine
CID 112651288
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
1-ethyl-2-propylimidazole;4-methylbenzenesulfonic acid
CID 175780532
2-(2-acetyloxyethyl)pyridine-3-carboxylic acid
CID 166055626
2-[(2,7-dioxoazepan-1-yl)methyl]pyridine-3-carboxylic acid
CID 114198370
2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
2-[(2-methylpiperidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 82187666
2-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50954565
2-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 114198396
2-[(1-ethylimidazol-2-yl)methyl]pyridin-3-ol
CID 83129951

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid (CID 114198391) is 2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid is CCCc1nccn1Cc1ncccc1C(=O)O.
What is the InChIKey of 2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid?
The InChIKey is PSFNYVPYFCKQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-4-12-15-7-8-16(12)9-11-10(13(17)18)5-3-6-14-11/h3,5-8H,2,4,9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid?
2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propylimidazol-1-yl)methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).