3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid

C11H14N2O4 — CID 107938048

IUPAC3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid
SMILESCCCOCC(=O)Nc1cnccc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-2-5-17-7-10(14)13-9-6-12-4-3-8(9)11(15)16/h3-4,6H,2,5,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyDURXDJLIDCNEQC-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.14
Rot. Bonds6

About 3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid

3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid (PubChem CID 107938048) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid
PubChem CID107938048
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid
SMILESCCCOCC(=O)Nc1cnccc1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-2-5-17-7-10(14)13-9-6-12-4-3-8(9)11(15)16/h3-4,6H,2,5,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyDURXDJLIDCNEQC-UHFFFAOYSA-N
XLogP1.14
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2-propoxyacetyl)amino]pyridine-4-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

N-(3-amino-4-pyridinyl)-2-propoxyacetamide
CID 107937504
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
4,5-dimethoxy-2-[(2-propoxyacetyl)amino]benzoic acid
CID 107937657
2-(2-aminoethoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 79478693
3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062601
5-nitro-2-[(2-propoxyacetyl)amino]benzoic acid
CID 107937682
5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
CID 107938243
N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide
CID 103747528
3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid
CID 114288736
N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide
CID 103747540
4-chloro-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018149
3-[4-(2-butan-2-ylphenoxy)butanoylamino]pyridine-4-carboxylic acid
CID 155281674

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid (CID 107938048) is 3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid is CCCOCC(=O)Nc1cnccc1C(=O)O.
What is the InChIKey of 3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid?
The InChIKey is DURXDJLIDCNEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-5-17-7-10(14)13-9-6-12-4-3-8(9)11(15)16/h3-4,6H,2,5,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid?
3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107938048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).