3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid

C13H15N3O3 — CID 81445560

IUPAC3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid
SMILESCCCn1cncc1COc1cnccc1C(=O)O
InChIInChI=1S/C13H15N3O3/c1-2-5-16-9-15-6-10(16)8-19-12-7-14-4-3-11(12)13(17)18/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,18)
InChIKeyWUNICRNCHQYVEI-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.97
Rot. Bonds6

About 3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid

3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid (PubChem CID 81445560) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid
PubChem CID81445560
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid
SMILESCCCn1cncc1COc1cnccc1C(=O)O
InChIInChI=1S/C13H15N3O3/c1-2-5-16-9-15-6-10(16)8-19-12-7-14-4-3-11(12)13(17)18/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,18)
InChIKeyWUNICRNCHQYVEI-UHFFFAOYSA-N
XLogP1.97
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-bromo-2-[(3-propylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66152642
3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid
CID 81443631
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81445898
3-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]pyridine-4-carboxylic acid
CID 81445652
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
3-[(4-tert-butylphenyl)methoxy]pyridine-4-carboxylic acid
CID 81439619
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404
3-[(4-bromophenyl)methoxy]pyridine-4-carboxylic acid
CID 81446238
5-chloro-2-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 66154570
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid
CID 66155090

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid (CID 81445560) is 3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid is CCCn1cncc1COc1cnccc1C(=O)O.
What is the InChIKey of 3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid?
The InChIKey is WUNICRNCHQYVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-5-16-9-15-6-10(16)8-19-12-7-14-4-3-11(12)13(17)18/h3-4,6-7,9H,2,5,8H2,1H3,(H,17,18).
What are the key properties of 3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid?
3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid is sourced from PubChem (CID 81445560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).