2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid

C21H18N2O5 — CID 135567042

IUPAC2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid
SMILESCOc1cccc(CC(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)c1
InChIInChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)
InChIKeyQSWJSOQQNWMPME-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.34
Rot. Bonds6

About 2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid

2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid (PubChem CID 135567042) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid
PubChem CID135567042
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid
SMILESCOc1cccc(CC(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)c1
InChIInChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)
InChIKeyQSWJSOQQNWMPME-UHFFFAOYSA-N
XLogP3.34
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid (CID 135567042) is 2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid is COc1cccc(CC(=O)Nc2ccc(O)c(-c3cc(C(=O)O)ccn3)c2)c1.
What is the InChIKey of 2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid?
The InChIKey is QSWJSOQQNWMPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid?
2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid has a molecular weight of 378.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 135567042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).