5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid

C12H16N2O4 — CID 60769978

IUPAC5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
SMILESCOCCCCNC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O4/c1-18-7-3-2-6-13-11(15)9-4-5-10(12(16)17)14-8-9/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyTYQYHJDXGANJEM-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.94
Rot. Bonds7

About 5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid

5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 60769978) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID60769978
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
SMILESCOCCCCNC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C12H16N2O4/c1-18-7-3-2-6-13-11(15)9-4-5-10(12(16)17)14-8-9/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyTYQYHJDXGANJEM-UHFFFAOYSA-N
XLogP0.94
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.94
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

5-carbamothioyl-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 63748322
N-(3-hydroxypropyl)-6-(4-methoxybutanoyl)pyridine-3-carboxamide
CID 160529682
5-(3-sulfamoylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 61150263
5-[3-(cyclopropylamino)propylcarbamoyl]pyridine-2-carboxylic acid
CID 61408527
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
5-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 115588687
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
5-[(2-methoxy-3-methylbutyl)carbamoyl]pyridine-2-carboxylic acid
CID 119139765
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid (CID 60769978) is 5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid is COCCCCNC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is TYQYHJDXGANJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-7-3-2-6-13-11(15)9-4-5-10(12(16)17)14-8-9/h4-5,8H,2-3,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid?
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 60769978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).