5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C20H20N2O4 — CID 87002082

IUPAC5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)N(C)Cc2cccnc2)o1
InChIInChI=1S/C20H20N2O4/c1-22(13-15-6-5-11-21-12-15)20(23)19-10-9-16(26-19)14-25-18-8-4-3-7-17(18)24-2/h3-12H,13-14H2,1-2H3
InChIKeyRLWDRXSXXNJBDB-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.53
Rot. Bonds7

About 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 87002082) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID87002082
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)N(C)Cc2cccnc2)o1
InChIInChI=1S/C20H20N2O4/c1-22(13-15-6-5-11-21-12-15)20(23)19-10-9-16(26-19)14-25-18-8-4-3-7-17(18)24-2/h3-12H,13-14H2,1-2H3
InChIKeyRLWDRXSXXNJBDB-UHFFFAOYSA-N
XLogP3.53
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 87002082) is 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)N(C)Cc2cccnc2)o1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is RLWDRXSXXNJBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-22(13-15-6-5-11-21-12-15)20(23)19-10-9-16(26-19)14-25-18-8-4-3-7-17(18)24-2/h3-12H,13-14H2,1-2H3.
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 87002082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).