methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate

C16H20N2O3 — CID 79086387

IUPACmethyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(C)CCc2ccncc2)o1
InChIInChI=1S/C16H20N2O3/c1-12(14-4-5-15(21-14)16(19)20-3)18(2)11-8-13-6-9-17-10-7-13/h4-7,9-10,12H,8,11H2,1-3H3
InChIKeyLQGMSNRPKNWJEP-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.70
Rot. Bonds6

About methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate

methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate (PubChem CID 79086387) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate
PubChem CID79086387
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(C)CCc2ccncc2)o1
InChIInChI=1S/C16H20N2O3/c1-12(14-4-5-15(21-14)16(19)20-3)18(2)11-8-13-6-9-17-10-7-13/h4-7,9-10,12H,8,11H2,1-3H3
InChIKeyLQGMSNRPKNWJEP-UHFFFAOYSA-N
XLogP2.70
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate (CID 79086387) is methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)N(C)CCc2ccncc2)o1.
What is the InChIKey of methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate?
The InChIKey is LQGMSNRPKNWJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(14-4-5-15(21-14)16(19)20-3)18(2)11-8-13-6-9-17-10-7-13/h4-7,9-10,12H,8,11H2,1-3H3.
What are the key properties of methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 79086387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).