5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid

C14H19N3O4 — CID 106404852

IUPAC5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESC=CCCOCCNC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O4/c1-2-3-7-21-8-6-15-14(20)17-10-11-4-5-12(13(18)19)16-9-11/h2,4-5,9H,1,3,6-8,10H2,(H,18,19)(H2,15,17,20)
InChIKeyQLUKKQBWQHLXNC-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.17
Rot. Bonds9

About 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid

5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 106404852) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
PubChem CID106404852
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESC=CCCOCCNC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H19N3O4/c1-2-3-7-21-8-6-15-14(20)17-10-11-4-5-12(13(18)19)16-9-11/h2,4-5,9H,1,3,6-8,10H2,(H,18,19)(H2,15,17,20)
InChIKeyQLUKKQBWQHLXNC-UHFFFAOYSA-N
XLogP1.17
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-butoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090732
6-(2-but-3-enoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 106406232
5-[(2-bromoprop-2-enylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 113465161
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090654
1-[2-(2-but-3-enoxyethylcarbamoylamino)ethyl]triazole-4-carboxylic acid
CID 106405060
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090537
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090461
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284

Frequently Asked Questions

What is the IUPAC name of 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid (CID 106404852) is 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid is C=CCCOCCNC(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is QLUKKQBWQHLXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-3-7-21-8-6-15-14(20)17-10-11-4-5-12(13(18)19)16-9-11/h2,4-5,9H,1,3,6-8,10H2,(H,18,19)(H2,15,17,20).
What are the key properties of 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-but-3-enoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106404852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).