4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid

C16H15NO4 — CID 58489013

IUPAC4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
SMILESC=CCn1ccc(=O)c(OCc2ccccc2)c1C(=O)O
InChIInChI=1S/C16H15NO4/c1-2-9-17-10-8-13(18)15(14(17)16(19)20)21-11-12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,19,20)
InChIKeyOWMDDQZBZRJWSV-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.31
Rot. Bonds6

About 4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid

4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid (PubChem CID 58489013) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
PubChem CID58489013
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
SMILESC=CCn1ccc(=O)c(OCc2ccccc2)c1C(=O)O
InChIInChI=1S/C16H15NO4/c1-2-9-17-10-8-13(18)15(14(17)16(19)20)21-11-12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,19,20)
InChIKeyOWMDDQZBZRJWSV-UHFFFAOYSA-N
XLogP2.31
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid
CID 66941827
1-amino-2-(3-methylpent-4-enoyl)-3-phenylmethoxypyridin-4-one
CID 164968934
1-benzyl-6-methyl-4-oxo-3-phenylmethoxypyridine-2-carboxylic acid
CID 66941625
5-phenylmethoxy-3-prop-2-enyl-1,2-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
CID 148829592
ethyl 1-amino-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 134464571
1-(2-hydroxyethyl)-4-oxo-3-phenylmethoxy-N-propylpyridine-2-carboxamide
CID 143761971
N-methyl-4-oxo-3-phenylmethoxy-1-(2-phenylpent-4-en-2-ylamino)pyridine-2-carboxamide
CID 162689120
1-[(2S)-2-hydroxy-2-phenylethyl]-2-methyl-3-phenylmethoxypyridin-4-one
CID 170560126
1-amino-N-(1-ethenylcyclobutyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 156780552
1-methyl-3-phenylmethoxy-2-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]pyridin-4-one
CID 157014373
N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 25234889
2-acetyl-3-phenylmethoxy-1H-pyridin-4-one
CID 145314511

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid?
The IUPAC name of 4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid (CID 58489013) is 4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid?
The canonical SMILES for 4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid is C=CCn1ccc(=O)c(OCc2ccccc2)c1C(=O)O.
What is the InChIKey of 4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid?
The InChIKey is OWMDDQZBZRJWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-9-17-10-8-13(18)15(14(17)16(19)20)21-11-12-6-4-3-5-7-12/h2-8,10H,1,9,11H2,(H,19,20).
What are the key properties of 4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid?
4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenylmethoxy-1-prop-2-enylpyridine-2-carboxylic acid is sourced from PubChem (CID 58489013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).