2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid

C10H11ClN2O4 — CID 79456698

IUPAC2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H11ClN2O4/c11-8-5-12-2-1-7(8)10(16)13-3-4-17-6-9(14)15/h1-2,5H,3-4,6H2,(H,13,16)(H,14,15)
InChIKeyFVKLGXNPLCLSFE-UHFFFAOYSA-N
MW258.66 g/mol
LogP0.57
Rot. Bonds6

About 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid

2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79456698) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
PubChem CID79456698
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1ccncc1Cl
InChIInChI=1S/C10H11ClN2O4/c11-8-5-12-2-1-7(8)10(16)13-3-4-17-6-9(14)15/h1-2,5H,3-4,6H2,(H,13,16)(H,14,15)
InChIKeyFVKLGXNPLCLSFE-UHFFFAOYSA-N
XLogP0.57
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic 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-[2-(2-bromoethoxy)ethyl]-3-chloropyridine-4-carboxamide
CID 114309395
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 120526506
2-[2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]ethoxy]acetic acid
CID 114036991
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
4-[2-(2-methoxyethoxy)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 114244377
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79468883
3-chloro-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 66482781
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid (CID 79456698) is 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)c1ccncc1Cl.
What is the InChIKey of 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is FVKLGXNPLCLSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c11-8-5-12-2-1-7(8)10(16)13-3-4-17-6-9(14)15/h1-2,5H,3-4,6H2,(H,13,16)(H,14,15).
What are the key properties of 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 258.66 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79456698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).