2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid

C16H15NO4 — CID 82063254

IUPAC2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCOc1cccc(/C=C/c2ccn(CC(=O)O)c(=O)c2)c1
InChIInChI=1S/C16H15NO4/c1-21-14-4-2-3-12(9-14)5-6-13-7-8-17(11-16(19)20)15(18)10-13/h2-10H,11H2,1H3,(H,19,20)/b6-5+
InChIKeyKDHYRKHPOYPYTE-AATRIKPKSA-N
MW285.30 g/mol
LogP2.11
Rot. Bonds5

About 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid

2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 82063254) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
PubChem CID82063254
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCOc1cccc(/C=C/c2ccn(CC(=O)O)c(=O)c2)c1
InChIInChI=1S/C16H15NO4/c1-21-14-4-2-3-12(9-14)5-6-13-7-8-17(11-16(19)20)15(18)10-13/h2-10H,11H2,1H3,(H,19,20)/b6-5+
InChIKeyKDHYRKHPOYPYTE-AATRIKPKSA-N
XLogP2.11
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]propanoic acid
CID 82063262
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
2-[5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetic acid
CID 139686110
3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
(Z)-4-(3-methoxyphenyl)-2-oxobut-3-enoic acid
CID 93043949
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
(Z)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(3-methoxyphenyl)pent-1-en-3-one
CID 92858992
(1E,6E)-5-hydroxy-1,7-bis(3-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 136703950
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 46675197
(1Z,4E,6Z)-1-(3-methoxyphenyl)-7-phenylhepta-1,4,6-trien-3-one
CID 92522947
4-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]hex-3-enoic acid
CID 135033927
2-[3-(3-methoxyphenyl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79263563

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid (CID 82063254) is 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid is COc1cccc(/C=C/c2ccn(CC(=O)O)c(=O)c2)c1.
What is the InChIKey of 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is KDHYRKHPOYPYTE-AATRIKPKSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-14-4-2-3-12(9-14)5-6-13-7-8-17(11-16(19)20)15(18)10-13/h2-10H,11H2,1H3,(H,19,20)/b6-5+.
What are the key properties of 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid?
2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(3-methoxyphenyl)ethenyl]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82063254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).