2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid

C18H20N2O5 — CID 67963681

IUPAC2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid
SMILESCCCCOc1c[nH]c(C(=O)Nc2ccc(CC(=O)O)cc2)cc1=O
InChIInChI=1S/C18H20N2O5/c1-2-3-8-25-16-11-19-14(10-15(16)21)18(24)20-13-6-4-12(5-7-13)9-17(22)23/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,21)(H,20,24)(H,22,23)
InChIKeyAGGDUMHBGRSMPT-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.43
Rot. Bonds8

About 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid

2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 67963681) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid
PubChem CID67963681
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid
SMILESCCCCOc1c[nH]c(C(=O)Nc2ccc(CC(=O)O)cc2)cc1=O
InChIInChI=1S/C18H20N2O5/c1-2-3-8-25-16-11-19-14(10-15(16)21)18(24)20-13-6-4-12(5-7-13)9-17(22)23/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,21)(H,20,24)(H,22,23)
InChIKeyAGGDUMHBGRSMPT-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]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

ethyl 2-[4-[(4-oxo-5-phenylmethoxy-1H-pyridine-2-carbonyl)amino]phenyl]acetate
CID 123683336
2-[4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]phenyl]acetic acid
CID 28741876
4-oxo-N-phenyl-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442472
N-(4-fluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442339
5-[(4-chlorophenyl)methoxy]-N-(6-methoxy-3-pyridinyl)-4-oxo-1H-pyridine-2-carboxamide
CID 52898437
N-(3,4-difluorophenyl)-4-oxo-5-phenylmethoxy-1H-pyridine-2-carboxamide
CID 42442345
N-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376438
4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47267908
2-(4-butoxy-3-chlorophenyl)acetic acid
CID 27380
N-[4-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 31598614
2-[4-[3-(4-octadecoxyphenyl)propanoylamino]phenyl]acetic acid
CID 139918168
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid (CID 67963681) is 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid is CCCCOc1c[nH]c(C(=O)Nc2ccc(CC(=O)O)cc2)cc1=O.
What is the InChIKey of 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is AGGDUMHBGRSMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-2-3-8-25-16-11-19-14(10-15(16)21)18(24)20-13-6-4-12(5-7-13)9-17(22)23/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,21)(H,20,24)(H,22,23).
What are the key properties of 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid?
2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 344.37 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-butoxy-4-oxo-1H-pyridine-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 67963681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).