5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide

C24H23N3O4 — CID 55843016

IUPAC5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)NCc2cccnc2OC2CCCC2)o1
InChIInChI=1S/C24H23N3O4/c25-14-17-6-1-4-10-21(17)29-16-20-11-12-22(30-20)23(28)27-15-18-7-5-13-26-24(18)31-19-8-2-3-9-19/h1,4-7,10-13,19H,2-3,8-9,15-16H2,(H,27,28)
InChIKeyNSYARJGLUHDLFV-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.38
Rot. Bonds8

About 5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 55843016) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide
PubChem CID55843016
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide
SMILESN#Cc1ccccc1OCc1ccc(C(=O)NCc2cccnc2OC2CCCC2)o1
InChIInChI=1S/C24H23N3O4/c25-14-17-6-1-4-10-21(17)29-16-20-11-12-22(30-20)23(28)27-15-18-7-5-13-26-24(18)31-19-8-2-3-9-19/h1,4-7,10-13,19H,2-3,8-9,15-16H2,(H,27,28)
InChIKeyNSYARJGLUHDLFV-UHFFFAOYSA-N
XLogP4.38
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide (CID 55843016) is 5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide is N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccnc2OC2CCCC2)o1.
What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is NSYARJGLUHDLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c25-14-17-6-1-4-10-21(17)29-16-20-11-12-22(30-20)23(28)27-15-18-7-5-13-26-24(18)31-19-8-2-3-9-19/h1,4-7,10-13,19H,2-3,8-9,15-16H2,(H,27,28).
What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide?
5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyanophenoxy)methyl]-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 55843016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).