1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione

C14H11NO3 — CID 18704760

IUPAC1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
SMILESCOc1cccc(C(=O)C(=O)c2ccncc2)c1
InChIInChI=1S/C14H11NO3/c1-18-12-4-2-3-11(9-12)14(17)13(16)10-5-7-15-8-6-10/h2-9H,1H3
InChIKeyCOCSKSMVQKNWMX-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.16
Rot. Bonds4

About 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione

1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione (PubChem CID 18704760) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
PubChem CID18704760
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
SMILESCOc1cccc(C(=O)C(=O)c2ccncc2)c1
InChIInChI=1S/C14H11NO3/c1-18-12-4-2-3-11(9-12)14(17)13(16)10-5-7-15-8-6-10/h2-9H,1H3
InChIKeyCOCSKSMVQKNWMX-UHFFFAOYSA-N
XLogP2.16
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione 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

1-(3-methoxyphenyl)-3-pyridin-4-ylbut-2-en-1-one
CID 86237720
2-(3-methoxyphenyl)-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 94280101
1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 11276228
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
(2S)-2-bromo-1-(3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 99640942
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
2-chloro-1-(3-methoxyphenyl)prop-2-en-1-one
CID 23624440
3-hydroxy-1,3-bis(3-methoxyphenyl)-2-methylprop-2-en-1-one
CID 27818254
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
1-(3-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 43321352
2-(3-methoxyphenyl)-2-oxo-N-propan-2-ylacetamide
CID 82114479

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione?
The IUPAC name of 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione (CID 18704760) is 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione?
The canonical SMILES for 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione is COc1cccc(C(=O)C(=O)c2ccncc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione?
The InChIKey is COCSKSMVQKNWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-18-12-4-2-3-11(9-12)14(17)13(16)10-5-7-15-8-6-10/h2-9H,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione?
1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione has a molecular weight of 241.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione is sourced from PubChem (CID 18704760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).