2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid

C16H20N4O2 — CID 90407332

IUPAC2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN1CCCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)C1
InChIInChI=1S/C16H20N4O2/c1-19-6-2-3-12(8-19)9-20-10-15(18-11-20)14-7-13(16(21)22)4-5-17-14/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,21,22)
InChIKeyBXQUYHCZNDHZJI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.99
Rot. Bonds4

About 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407332) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407332
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN1CCCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)C1
InChIInChI=1S/C16H20N4O2/c1-19-6-2-3-12(8-19)9-20-10-15(18-11-20)14-7-13(16(21)22)4-5-17-14/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,21,22)
InChIKeyBXQUYHCZNDHZJI-UHFFFAOYSA-N
XLogP1.99
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-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

4-(1-Imidazolyl)benzoic Acid
CID 736529
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
3-(6-Amino-3-pyridinyl)-2-(1-cyclohexylimidazol-4-yl)propanoic acid
CID 11702405
3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(4-methyl-pentyl)-1H-imidazol-4-yl]-propionic acid
CID 44308370
3-(6-Amino-5-methyl-pyridin-3-yl)-2-[1-(3-methyl-butyl)-1H-imidazol-4-yl]-propionic acid
CID 44308385
3-(6-Amino-pyridin-3-yl)-2-(1-ethyl-1H-imidazol-4-yl)-propionic acid
CID 9813856
3-(6-Amino-pyridin-3-yl)-2-(1-butyl-1H-imidazol-4-yl)-propionic acid
CID 9857137
3-(6-Amino-pyridin-3-yl)-2-(1-methyl-1H-imidazol-4-yl)-propionic acid
CID 9942902
3-(6-Amino-pyridin-3-yl)-2-(1-isopropyl-1H-imidazol-4-yl)-propionic acid
CID 9943447
3-(6-Amino-pyridin-3-yl)-2-(1-benzyl-1H-imidazol-4-yl)-propionic acid
CID 9966944

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407332) is 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid is CN1CCCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)C1.
What is the InChIKey of 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is BXQUYHCZNDHZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-6-2-3-12(8-19)9-20-10-15(18-11-20)14-7-13(16(21)22)4-5-17-14/h4-5,7,10-12H,2-3,6,8-9H2,1H3,(H,21,22).
What are the key properties of 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpiperidin-3-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).