2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid

C11H14N2O4 — CID 63615728

IUPAC2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCOCCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-2-17-7-6-13-10(14)9-8(11(15)16)4-3-5-12-9/h3-5H,2,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyHIHPFRCAYWQVAM-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.55
Rot. Bonds6

About 2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid

2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 63615728) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID63615728
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid
SMILESCCOCCNC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-2-17-7-6-13-10(14)9-8(11(15)16)4-3-5-12-9/h3-5H,2,6-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyHIHPFRCAYWQVAM-UHFFFAOYSA-N
XLogP0.55
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-(ethoxycarbamoyl)pyridine-3-carboxylic acid
CID 64974014
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63828189
N-(3-ethoxypropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62243078
2-(prop-2-ynylcarbamoyl)pyridine-3-carboxylic acid
CID 63614574
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935
2-[2-(methylsulfamoyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106334730
2-(3-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 106328232
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid (CID 63615728) is 2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid is CCOCCNC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is HIHPFRCAYWQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-17-7-6-13-10(14)9-8(11(15)16)4-3-5-12-9/h3-5H,2,6-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid?
2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 63615728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).