5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid

C11H14N2O4 — CID 107938243

IUPAC5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
SMILESCCCOCC(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H14N2O4/c1-2-5-17-7-10(14)13-8-3-4-9(11(15)16)12-6-8/h3-4,6H,2,5,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyUNHQHUQNPCKSNE-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.14
Rot. Bonds6

About 5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid

5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid (PubChem CID 107938243) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
PubChem CID107938243
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid
SMILESCCCOCC(=O)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C11H14N2O4/c1-2-5-17-7-10(14)13-8-3-4-9(11(15)16)12-6-8/h3-4,6H,2,5,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyUNHQHUQNPCKSNE-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'}

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Related Compounds

5-(3-propoxypropylamino)pyridine-2-carboxylic acid
CID 82947168
5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-2-carboxylic acid
CID 114468082
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
3-[4-[(2-propoxyacetyl)amino]phenyl]butanoic acid
CID 107938328
3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid
CID 107938048
2-(2-aminoethoxy)-N-(6-fluoro-3-pyridinyl)acetamide
CID 103808701
4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid
CID 63651324
2-[2-[2-(4-ethoxyanilino)-2-oxoethoxy]ethoxy]-N-(4-ethoxyphenyl)acetamide
CID 101189832
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329211
5-[(2-propoxyacetyl)amino]thiophene-2-carboxylic acid
CID 107937745
N-(2,6-dimethyl-3-pyridinyl)-2-propoxyacetamide
CID 103747540

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid (CID 107938243) is 5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid is CCCOCC(=O)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid?
The InChIKey is UNHQHUQNPCKSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-5-17-7-10(14)13-8-3-4-9(11(15)16)12-6-8/h3-4,6H,2,5,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid?
5-[(2-propoxyacetyl)amino]pyridine-2-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 5-[(2-propoxyacetyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 107938243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).