4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

C22H21N3O3 — CID 38406531

IUPAC4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C22H21N3O3/c1-15-20(19(14-23)22(27-15)25-11-4-5-12-25)21(26)24-16-7-6-10-18(13-16)28-17-8-2-3-9-17/h4-7,10-13,17H,2-3,8-9H2,1H3,(H,24,26)
InChIKeyXYASYOLQYBZBSO-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.82
Rot. Bonds5

About 4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 38406531) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID38406531
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C22H21N3O3/c1-15-20(19(14-23)22(27-15)25-11-4-5-12-25)21(26)24-16-7-6-10-18(13-16)28-17-8-2-3-9-17/h4-7,10-13,17H,2-3,8-9H2,1H3,(H,24,26)
InChIKeyXYASYOLQYBZBSO-UHFFFAOYSA-N
XLogP4.82
TPSA80.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of 4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 38406531) is 4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for 4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(OC2CCCC2)c1.
What is the InChIKey of 4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is XYASYOLQYBZBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-20(19(14-23)22(27-15)25-11-4-5-12-25)21(26)24-16-7-6-10-18(13-16)28-17-8-2-3-9-17/h4-7,10-13,17H,2-3,8-9H2,1H3,(H,24,26).
What are the key properties of 4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-cyclopentyloxyphenyl)-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 38406531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).