pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate

C22H17NO4 — CID 1084340

IUPACpyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate
SMILESO=C(OCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C22H17NO4/c24-22(26-14-18-7-3-4-12-23-18)21-11-10-20(27-21)15-25-19-9-8-16-5-1-2-6-17(16)13-19/h1-13H,14-15H2
InChIKeySBFYJZXUKFICOD-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.76
Rot. Bonds6

About pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate

pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate (PubChem CID 1084340) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate
PubChem CID1084340
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Namepyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate
SMILESO=C(OCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C22H17NO4/c24-22(26-14-18-7-3-4-12-23-18)21-11-10-20(27-21)15-25-19-9-8-16-5-1-2-6-17(16)13-19/h1-13H,14-15H2
InChIKeySBFYJZXUKFICOD-UHFFFAOYSA-N
XLogP4.76
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate (CID 1084340) is pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate is O=C(OCc1ccccn1)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
The InChIKey is SBFYJZXUKFICOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c24-22(26-14-18-7-3-4-12-23-18)21-11-10-20(27-21)15-25-19-9-8-16-5-1-2-6-17(16)13-19/h1-13H,14-15H2.
What are the key properties of pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate?
pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 5-(naphthalen-2-yloxymethyl)furan-2-carboxylate is sourced from PubChem (CID 1084340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).