2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid

C19H18N2O6 — CID 169406482

IUPAC2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid
SMILESC=CCOc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1CC=C
InChIInChI=1S/C19H18N2O6/c1-3-5-10-9-11(6-7-12(10)27-8-4-2)13-14(18(23)24)16(20)21-17(22)15(13)19(25)26/h3-4,6-7,9H,1-2,5,8H2,(H,23,24)(H,25,26)(H3,20,21,22)
InChIKeyFJIUZWHSHNGMHX-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.31
Rot. Bonds8

About 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid

2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169406482) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169406482
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid
SMILESC=CCOc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1CC=C
InChIInChI=1S/C19H18N2O6/c1-3-5-10-9-11(6-7-12(10)27-8-4-2)13-14(18(23)24)16(20)21-17(22)15(13)19(25)26/h3-4,6-7,9H,1-2,5,8H2,(H,23,24)(H,25,26)(H3,20,21,22)
InChIKeyFJIUZWHSHNGMHX-UHFFFAOYSA-N
XLogP2.31
TPSA142.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic 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

2-amino-4-(3,4-dimethoxy-5-prop-2-enylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406145
2-amino-4-(3-ethoxy-5-prop-2-enyl-4-propoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406428
2-amino-4-[3,4-bis(phenylmethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405035
2-amino-4-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406165
2-amino-4-(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406525
2-amino-4-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405826
2-amino-4-[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405849
2-amino-4-[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407311
2-amino-4-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407191
2-amino-4-(4-fluoro-3-pentoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405481
2-amino-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405998
2-amino-4-(4-iodo-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407868

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid (CID 169406482) is 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid is C=CCOc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1CC=C.
What is the InChIKey of 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is FJIUZWHSHNGMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-3-5-10-9-11(6-7-12(10)27-8-4-2)13-14(18(23)24)16(20)21-17(22)15(13)19(25)26/h3-4,6-7,9H,1-2,5,8H2,(H,23,24)(H,25,26)(H3,20,21,22).
What are the key properties of 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid?
2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 370.36 g/mol, XLogP of 2.31, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-(4-prop-2-enoxy-3-prop-2-enylphenyl)-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169406482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).