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

C15H20N4O3 — CID 90407330

IUPAC2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(C)CCOCCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C15H20N4O3/c1-18(2)5-7-22-8-6-19-10-14(17-11-19)13-9-12(15(20)21)3-4-16-13/h3-4,9-11H,5-8H2,1-2H3,(H,20,21)
InChIKeyCGBVLABAVLQTCP-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.22
Rot. Bonds8

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

2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407330) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407330
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(C)CCOCCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C15H20N4O3/c1-18(2)5-7-22-8-6-19-10-14(17-11-19)13-9-12(15(20)21)3-4-16-13/h3-4,9-11H,5-8H2,1-2H3,(H,20,21)
InChIKeyCGBVLABAVLQTCP-UHFFFAOYSA-N
XLogP1.22
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407330) is 2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is CN(C)CCOCCn1cnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is CGBVLABAVLQTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-18(2)5-7-22-8-6-19-10-14(17-11-19)13-9-12(15(20)21)3-4-16-13/h3-4,9-11H,5-8H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(dimethylamino)ethoxy]ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).