methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate

C14H11NO4 — CID 144590992

IUPACmethyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(C(=O)C=Cc2ccco2)c1
InChIInChI=1S/C14H11NO4/c1-18-14(17)10-6-7-15-12(9-10)13(16)5-4-11-3-2-8-19-11/h2-9H,1H3
InChIKeyKGGDYIOOYYDEHH-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.36
Rot. Bonds4

About methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate

methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate (PubChem CID 144590992) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate
PubChem CID144590992
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Namemethyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(C(=O)C=Cc2ccco2)c1
InChIInChI=1S/C14H11NO4/c1-18-14(17)10-6-7-15-12(9-10)13(16)5-4-11-3-2-8-19-11/h2-9H,1H3
InChIKeyKGGDYIOOYYDEHH-UHFFFAOYSA-N
XLogP2.36
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate 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

methyl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 2303057
methyl 4-[(E)-3-(furan-2-yl)prop-2-enoyl]oxy-3-methoxybenzoate
CID 8840269
dimethyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzene-1,4-dicarboxylate
CID 5342219
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
CID 5376055
1-(4-ethoxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 5219870
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]-5-methoxybenzoate
CID 75269063
methyl 2-[(Z)-2-(furan-2-yl)ethenyl]-4,6-dimethoxybenzoate
CID 141364342
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
methyl 4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]benzoate
CID 6264432
(E)-3-(furan-2-yl)-1-(2-hydroxy-6-methoxyphenyl)prop-2-en-1-one
CID 127045490
methyl 4-(furan-2-yl)quinoline-7-carboxylate
CID 71742561

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate (CID 144590992) is methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate is COC(=O)c1ccnc(C(=O)C=Cc2ccco2)c1.
What is the InChIKey of methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate?
The InChIKey is KGGDYIOOYYDEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c1-18-14(17)10-6-7-15-12(9-10)13(16)5-4-11-3-2-8-19-11/h2-9H,1H3.
What are the key properties of methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate?
methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate has a molecular weight of 257.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(furan-2-yl)prop-2-enoyl]pyridine-4-carboxylate is sourced from PubChem (CID 144590992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).