methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate

C14H16N2O3 — CID 104585947

IUPACmethyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCc2cccnc2)c1
InChIInChI=1S/C14H16N2O3/c1-18-14(17)12-7-13(19-10-12)9-16-6-4-11-3-2-5-15-8-11/h2-3,5,7-8,10,16H,4,6,9H2,1H3
InChIKeyKNWGXULZESFGCD-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.79
Rot. Bonds6

About methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate

methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate (PubChem CID 104585947) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate
PubChem CID104585947
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CNCCc2cccnc2)c1
InChIInChI=1S/C14H16N2O3/c1-18-14(17)12-7-13(19-10-12)9-16-6-4-11-3-2-5-15-8-11/h2-3,5,7-8,10,16H,4,6,9H2,1H3
InChIKeyKNWGXULZESFGCD-UHFFFAOYSA-N
XLogP1.79
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-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 5-[(pyridin-3-ylmethylamino)methyl]furan-3-carboxylate
CID 104585767
methyl 5-[(2-thiophen-3-ylethylamino)methyl]furan-3-carboxylate
CID 104585912
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
methyl 5-[[(3-fluorophenyl)methylamino]methyl]furan-3-carboxylate
CID 104585887
[5-[(2-pyridin-3-ylethylamino)methyl]furan-2-yl]methanol
CID 64592557
N-(furan-2-ylmethyl)-2-pyridin-3-ylethanamine
CID 60894639
methyl 5-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-3-carboxylate
CID 104585806
methyl 5-[(2-cyanoethylamino)methyl]furan-3-carboxylate
CID 104608135
methyl 5-[[(4-chlorophenyl)methylamino]methyl]furan-3-carboxylate
CID 104585879
methyl 5-[(2-cyclopropylethylamino)methyl]furan-3-carboxylate
CID 104586453
methyl 5-[(2-sulfamoylethylamino)methyl]furan-3-carboxylate
CID 104608224
5-[[2-(4-methoxyphenyl)ethylamino]methyl]furan-3-carboxylic acid
CID 104607952

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate (CID 104585947) is methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate is COC(=O)c1coc(CNCCc2cccnc2)c1.
What is the InChIKey of methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate?
The InChIKey is KNWGXULZESFGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-14(17)12-7-13(19-10-12)9-16-6-4-11-3-2-5-15-8-11/h2-3,5,7-8,10,16H,4,6,9H2,1H3.
What are the key properties of methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate?
methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-pyridin-3-ylethylamino)methyl]furan-3-carboxylate is sourced from PubChem (CID 104585947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).