2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid

C19H20N4O2 — CID 138614930

IUPAC2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2=CN(CCN3Cc4ccccc4C3)CN2)c1
InChIInChI=1S/C19H20N4O2/c24-19(25)14-5-6-20-17(9-14)18-12-23(13-21-18)8-7-22-10-15-3-1-2-4-16(15)11-22/h1-6,9,12,21H,7-8,10-11,13H2,(H,24,25)
InChIKeyLWOXQNHLZGMOGZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.96
Rot. Bonds5

About 2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid

2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid (PubChem CID 138614930) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid
PubChem CID138614930
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C2=CN(CCN3Cc4ccccc4C3)CN2)c1
InChIInChI=1S/C19H20N4O2/c24-19(25)14-5-6-20-17(9-14)18-12-23(13-21-18)8-7-22-10-15-3-1-2-4-16(15)11-22/h1-6,9,12,21H,7-8,10-11,13H2,(H,24,25)
InChIKeyLWOXQNHLZGMOGZ-UHFFFAOYSA-N
XLogP1.96
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid (CID 138614930) is 2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(C2=CN(CCN3Cc4ccccc4C3)CN2)c1.
What is the InChIKey of 2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid?
The InChIKey is LWOXQNHLZGMOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(25)14-5-6-20-17(9-14)18-12-23(13-21-18)8-7-22-10-15-3-1-2-4-16(15)11-22/h1-6,9,12,21H,7-8,10-11,13H2,(H,24,25).
What are the key properties of 2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid?
2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid has a molecular weight of 336.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1,2-dihydroimidazol-5-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 138614930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).