4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid

C12H16N2O5 — CID 114244377

IUPAC4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCOCCOCCNC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-18-6-7-19-5-4-14-11(15)9-2-3-13-8-10(9)12(16)17/h2-3,8H,4-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyODTUGXXIIDZUKH-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.17
Rot. Bonds8

About 4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid

4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 114244377) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID114244377
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
SMILESCOCCOCCNC(=O)c1ccncc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-18-6-7-19-5-4-14-11(15)9-2-3-13-8-10(9)12(16)17/h2-3,8H,4-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyODTUGXXIIDZUKH-UHFFFAOYSA-N
XLogP0.17
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxybutylcarbamoyl)pyridine-3-carboxylic acid
CID 114244376
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
4-[2-(2-methoxyethoxy)ethoxy]pyridine-3-carboxylic acid
CID 102383084
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993
N-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
CID 114309395
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
3-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]oxypyridine-4-carboxylic acid
CID 81445637
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
2-[2-(2-methoxyethoxy)ethylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429010
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-3-carboxylic acid
CID 114244362

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid (CID 114244377) is 4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid is COCCOCCNC(=O)c1ccncc1C(=O)O.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is ODTUGXXIIDZUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-18-6-7-19-5-4-14-11(15)9-2-3-13-8-10(9)12(16)17/h2-3,8H,4-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid?
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114244377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).