4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid

C18H20N2O5 — CID 119247079

IUPAC4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
SMILESCc1ccc(C(=O)NCc2ccc(OCCCC(=O)O)cc2)c(=O)[nH]1
InChIInChI=1S/C18H20N2O5/c1-12-4-9-15(18(24)20-12)17(23)19-11-13-5-7-14(8-6-13)25-10-2-3-16(21)22/h4-9H,2-3,10-11H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyQWODQEHJTGJHKK-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.86
Rot. Bonds8

About 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid

4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid (PubChem CID 119247079) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
PubChem CID119247079
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
SMILESCc1ccc(C(=O)NCc2ccc(OCCCC(=O)O)cc2)c(=O)[nH]1
InChIInChI=1S/C18H20N2O5/c1-12-4-9-15(18(24)20-12)17(23)19-11-13-5-7-14(8-6-13)25-10-2-3-16(21)22/h4-9H,2-3,10-11H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyQWODQEHJTGJHKK-UHFFFAOYSA-N
XLogP1.86
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid with MolForge

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Related Compounds

4-[4-[[(4-methoxy-2-methylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247006
4-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247315
4-[4-[[(2,3-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119246992
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736977
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-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247341
4-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247051
4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247313
4-[4-[[(3-methoxy-5-methylthiophene-2-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247225
4-[4-[[(2-ethoxy-3-fluorobenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247043
4-[4-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 120527428

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid?
The IUPAC name of 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid (CID 119247079) is 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid.
What is the SMILES notation for 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid?
The canonical SMILES for 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid is Cc1ccc(C(=O)NCc2ccc(OCCCC(=O)O)cc2)c(=O)[nH]1.
What is the InChIKey of 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid?
The InChIKey is QWODQEHJTGJHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12-4-9-15(18(24)20-12)17(23)19-11-13-5-7-14(8-6-13)25-10-2-3-16(21)22/h4-9H,2-3,10-11H2,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid?
4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid has a molecular weight of 344.37 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid is sourced from PubChem (CID 119247079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).