2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid

C13H18N2O4 — CID 122055349

IUPAC2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
SMILESCCCCOCCNC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H18N2O4/c1-2-3-7-19-8-6-15-12(16)11-9-10(13(17)18)4-5-14-11/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyFOSPRVUFXUOQIV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.33
Rot. Bonds8

About 2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid

2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 122055349) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID122055349
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
SMILESCCCCOCCNC(=O)c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H18N2O4/c1-2-3-7-19-8-6-15-12(16)11-9-10(13(17)18)4-5-14-11/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyFOSPRVUFXUOQIV-UHFFFAOYSA-N
XLogP1.33
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.33
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-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
N-(2-butoxyethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62177424
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-(3-ethylsulfanylpropylcarbamoyl)pyridine-4-carboxylic acid
CID 122056379
2-(3-cyclohexyloxypropylcarbamoyl)pyridine-4-carboxylic acid
CID 122055071
2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055811
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
2-[(2-hydroxy-2-methylpentyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055666
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid (CID 122055349) is 2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid is CCCCOCCNC(=O)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is FOSPRVUFXUOQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-3-7-19-8-6-15-12(16)11-9-10(13(17)18)4-5-14-11/h4-5,9H,2-3,6-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid?
2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122055349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).