3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate

C15H17NO3 — CID 60554697

IUPAC3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate
SMILESCCc1ccc(C(=O)OCCCc2ccncc2)o1
InChIInChI=1S/C15H17NO3/c1-2-13-5-6-14(19-13)15(17)18-11-3-4-12-7-9-16-10-8-12/h5-10H,2-4,11H2,1H3
InChIKeyPQZIJHDVORFNHA-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.03
Rot. Bonds6

About 3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate

3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate (PubChem CID 60554697) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate.

Molecular Properties

Compound Name3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate
PubChem CID60554697
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate
SMILESCCc1ccc(C(=O)OCCCc2ccncc2)o1
InChIInChI=1S/C15H17NO3/c1-2-13-5-6-14(19-13)15(17)18-11-3-4-12-7-9-16-10-8-12/h5-10H,2-4,11H2,1H3
InChIKeyPQZIJHDVORFNHA-UHFFFAOYSA-N
XLogP3.03
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-4-ylpropyl 4-ethoxybenzoate
CID 134050749
3-pyridin-4-ylpropyl 4-(methylsulfanylmethyl)benzoate
CID 86917993
3-pyridin-4-ylpropyl pentanoate
CID 78842155
3-pyridin-4-ylpropyl 4-bromobenzoate
CID 52893750
methyl 5-[1-(3-pyridin-4-ylpropoxy)ethyl]furan-2-carboxylate
CID 79086279
3-pyridin-4-ylpropyl 2-methylpentanoate
CID 78841674
3-pyridin-4-ylpropyl 4-methyl-2-propyl-1,3-thiazole-5-carboxylate
CID 60554371
3-pyridin-3-ylpropyl 5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxylate
CID 78839801
4-pyridin-4-ylbutyl 2-methylprop-2-enoate
CID 139844492
3-pyridin-4-ylpropyl 4-(dimethylsulfamoyl)benzoate
CID 7551907
3-pyridin-4-ylpropyl cyclopentanecarboxylate
CID 78842260
3-pyridin-4-ylpropyl 5-(diethylsulfamoyl)-2-methylbenzoate
CID 78772214

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate?
The IUPAC name of 3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate (CID 60554697) is 3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate.
What is the SMILES notation for 3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate?
The canonical SMILES for 3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate is CCc1ccc(C(=O)OCCCc2ccncc2)o1.
What is the InChIKey of 3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate?
The InChIKey is PQZIJHDVORFNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-13-5-6-14(19-13)15(17)18-11-3-4-12-7-9-16-10-8-12/h5-10H,2-4,11H2,1H3.
What are the key properties of 3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate?
3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylpropyl 5-ethylfuran-2-carboxylate is sourced from PubChem (CID 60554697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).