N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide

C20H23FN4O — CID 9274846

IUPACN-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCCC2)n(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C20H23FN4O/c1-14-15(2)25(12-16-5-7-17(21)8-6-16)20(18(14)11-22)23-19(26)13-24-9-3-4-10-24/h5-8H,3-4,9-10,12-13H2,1-2H3,(H,23,26)
InChIKeyHATXVKZRNVXIIE-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.20
Rot. Bonds5

About N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide

N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 9274846) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID9274846
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESCc1c(C#N)c(NC(=O)CN2CCCC2)n(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C20H23FN4O/c1-14-15(2)25(12-16-5-7-17(21)8-6-16)20(18(14)11-22)23-19(26)13-24-9-3-4-10-24/h5-8H,3-4,9-10,12-13H2,1-2H3,(H,23,26)
InChIKeyHATXVKZRNVXIIE-UHFFFAOYSA-N
XLogP3.20
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide 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 N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide (CID 9274846) is N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide is Cc1c(C#N)c(NC(=O)CN2CCCC2)n(Cc2ccc(F)cc2)c1C.
What is the InChIKey of N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is HATXVKZRNVXIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-14-15(2)25(12-16-5-7-17(21)8-6-16)20(18(14)11-22)23-19(26)13-24-9-3-4-10-24/h5-8H,3-4,9-10,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide?
N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 354.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 9274846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).