4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid

C15H16N2O4 — CID 68729657

IUPAC4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1ccccc1CCNc1cc[nH]c(=O)c1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-21-12-5-3-2-4-10(12)6-8-16-11-7-9-17-14(18)13(11)15(19)20/h2-5,7,9H,6,8H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyFXBNLQFRGFKFFK-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.74
Rot. Bonds6

About 4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid

4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 68729657) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID68729657
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1ccccc1CCNc1cc[nH]c(=O)c1C(=O)O
InChIInChI=1S/C15H16N2O4/c1-21-12-5-3-2-4-10(12)6-8-16-11-7-9-17-14(18)13(11)15(19)20/h2-5,7,9H,6,8H2,1H3,(H,19,20)(H2,16,17,18)
InChIKeyFXBNLQFRGFKFFK-UHFFFAOYSA-N
XLogP1.74
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-[2-(2-methoxyphenyl)ethylamino]benzoic acid
CID 106262540
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N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136887855
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
3-(2-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109025285
N-[2-(2-methoxyphenyl)ethyl]-2-(2-methylsulfanylanilino)acetamide
CID 86910700
3-chloro-6-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 106261584
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid (CID 68729657) is 4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid is COc1ccccc1CCNc1cc[nH]c(=O)c1C(=O)O.
What is the InChIKey of 4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is FXBNLQFRGFKFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-21-12-5-3-2-4-10(12)6-8-16-11-7-9-17-14(18)13(11)15(19)20/h2-5,7,9H,6,8H2,1H3,(H,19,20)(H2,16,17,18).
What are the key properties of 4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid?
4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 68729657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).