2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C13H16N4O2 — CID 90407318

IUPAC2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(C)CCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C13H16N4O2/c1-16(2)5-6-17-8-12(15-9-17)11-7-10(13(18)19)3-4-14-11/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
InChIKeyJESVJQKIAGLWLN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.20
Rot. Bonds5

About 2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407318) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407318
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(C)CCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C13H16N4O2/c1-16(2)5-6-17-8-12(15-9-17)11-7-10(13(18)19)3-4-14-11/h3-4,7-9H,5-6H2,1-2H3,(H,18,19)
InChIKeyJESVJQKIAGLWLN-UHFFFAOYSA-N
XLogP1.20
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407318) is 2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is CN(C)CCn1cnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is JESVJQKIAGLWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16(2)5-6-17-8-12(15-9-17)11-7-10(13(18)19)3-4-14-11/h3-4,7-9H,5-6H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).