5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid

C13H16N2O4 — CID 103339943

IUPAC5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid
SMILESC=CCN(CCOC)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H16N2O4/c1-3-6-15(7-8-19-2)12(16)10-4-5-11(13(17)18)14-9-10/h3-5,9H,1,6-8H2,2H3,(H,17,18)
InChIKeyXLLSNTVCGZGDAW-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.05
Rot. Bonds7

About 5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid

5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 103339943) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID103339943
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid
SMILESC=CCN(CCOC)C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C13H16N2O4/c1-3-6-15(7-8-19-2)12(16)10-4-5-11(13(17)18)14-9-10/h3-5,9H,1,6-8H2,2H3,(H,17,18)
InChIKeyXLLSNTVCGZGDAW-UHFFFAOYSA-N
XLogP1.05
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[bis(prop-2-enyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427357
5-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 47460235
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339075
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
5-[bis(2-methoxyethyl)amino]pyridine-2-carboxylic acid
CID 113321599
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
CID 31824869
4-[bis(2-methoxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730064
2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
CID 103338613
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
5-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)pyridine-2-carboxamide
CID 76951862
2-amino-N-(2-methoxyethyl)-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 103338894
N-(2-methoxyethyl)-N-prop-2-enylthiophene-2-carboxamide
CID 103340492

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid (CID 103339943) is 5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid is C=CCN(CCOC)C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is XLLSNTVCGZGDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-6-15(7-8-19-2)12(16)10-4-5-11(13(17)18)14-9-10/h3-5,9H,1,6-8H2,2H3,(H,17,18).
What are the key properties of 5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid?
5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 103339943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).