2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid

C15H18N4O2 — CID 90407056

IUPAC2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCN3CCCC3)cn2)c1
InChIInChI=1S/C15H18N4O2/c20-15(21)12-3-4-16-13(9-12)14-10-19(11-17-14)8-7-18-5-1-2-6-18/h3-4,9-11H,1-2,5-8H2,(H,20,21)
InChIKeyHRUSUMNASSGDCN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.74
Rot. Bonds5

About 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407056) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407056
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(CCN3CCCC3)cn2)c1
InChIInChI=1S/C15H18N4O2/c20-15(21)12-3-4-16-13(9-12)14-10-19(11-17-14)8-7-18-5-1-2-6-18/h3-4,9-11H,1-2,5-8H2,(H,20,21)
InChIKeyHRUSUMNASSGDCN-UHFFFAOYSA-N
XLogP1.74
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407056) is 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(CCN3CCCC3)cn2)c1.
What is the InChIKey of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is HRUSUMNASSGDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(21)12-3-4-16-13(9-12)14-10-19(11-17-14)8-7-18-5-1-2-6-18/h3-4,9-11H,1-2,5-8H2,(H,20,21).
What are the key properties of 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyrrolidin-1-ylethyl)imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).