4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid

C19H22N2O5 — CID 119247313

IUPAC4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
SMILESCCOc1ncccc1C(=O)NCc1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C19H22N2O5/c1-2-25-19-16(5-3-11-20-19)18(24)21-13-14-7-9-15(10-8-14)26-12-4-6-17(22)23/h3,5,7-11H,2,4,6,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyHIHLBVLLGCWQBI-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.65
Rot. Bonds10

About 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid

4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid (PubChem CID 119247313) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
PubChem CID119247313
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
SMILESCCOc1ncccc1C(=O)NCc1ccc(OCCCC(=O)O)cc1
InChIInChI=1S/C19H22N2O5/c1-2-25-19-16(5-3-11-20-19)18(24)21-13-14-7-9-15(10-8-14)26-12-4-6-17(22)23/h3,5,7-11H,2,4,6,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyHIHLBVLLGCWQBI-UHFFFAOYSA-N
XLogP2.65
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid with MolForge

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethoxypyridine-3-carboxamide
CID 42007122
4-[4-[[(2-ethoxy-3-fluorobenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247043
4-[4-[[(2,3-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119246992
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
4-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247051
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
4-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247315
4-[4-[[[2-(4-ethylphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247424
4-[4-[(2-ethylbutanoylamino)methyl]phenoxy]butanoic acid
CID 119247314
4-[4-[(thiophene-2-carbonylamino)methyl]phenoxy]butanoic acid
CID 119247435
4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247006

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid?
The IUPAC name of 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid (CID 119247313) is 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid?
The canonical SMILES for 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid is CCOc1ncccc1C(=O)NCc1ccc(OCCCC(=O)O)cc1.
What is the InChIKey of 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid?
The InChIKey is HIHLBVLLGCWQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-2-25-19-16(5-3-11-20-19)18(24)21-13-14-7-9-15(10-8-14)26-12-4-6-17(22)23/h3,5,7-11H,2,4,6,12-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid?
4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid has a molecular weight of 358.39 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid is sourced from PubChem (CID 119247313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).