6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide

C19H20FNO3 — CID 170512700

IUPAC6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C19H20FNO3/c1-12-10-16(14-5-3-6-14)24-19(23)17(12)18(22)21-9-8-13-4-2-7-15(20)11-13/h2,4,7,10-11,14H,3,5-6,8-9H2,1H3,(H,21,22)
InChIKeyHMFYCUUQKXRNOK-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.33
Rot. Bonds5

About 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide

6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide (PubChem CID 170512700) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
PubChem CID170512700
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C19H20FNO3/c1-12-10-16(14-5-3-6-14)24-19(23)17(12)18(22)21-9-8-13-4-2-7-15(20)11-13/h2,4,7,10-11,14H,3,5-6,8-9H2,1H3,(H,21,22)
InChIKeyHMFYCUUQKXRNOK-UHFFFAOYSA-N
XLogP3.33
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The IUPAC name of 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide (CID 170512700) is 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide is Cc1cc(C2CCC2)oc(=O)c1C(=O)NCCc1cccc(F)c1.
What is the InChIKey of 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
The InChIKey is HMFYCUUQKXRNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-12-10-16(14-5-3-6-14)24-19(23)17(12)18(22)21-9-8-13-4-2-7-15(20)11-13/h2,4,7,10-11,14H,3,5-6,8-9H2,1H3,(H,21,22).
What are the key properties of 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide?
6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170512700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).