5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile

C17H20FN3O — CID 166295663

IUPAC5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(CC2CCN(C(=O)C3CC(N)C3)C2)ccc1F
InChIInChI=1S/C17H20FN3O/c18-16-2-1-11(6-14(16)9-19)5-12-3-4-21(10-12)17(22)13-7-15(20)8-13/h1-2,6,12-13,15H,3-5,7-8,10,20H2
InChIKeyZDEPRZDYLAEQKN-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.83
Rot. Bonds3

About 5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile

5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile (PubChem CID 166295663) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile
PubChem CID166295663
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile
SMILESN#Cc1cc(CC2CCN(C(=O)C3CC(N)C3)C2)ccc1F
InChIInChI=1S/C17H20FN3O/c18-16-2-1-11(6-14(16)9-19)5-12-3-4-21(10-12)17(22)13-7-15(20)8-13/h1-2,6,12-13,15H,3-5,7-8,10,20H2
InChIKeyZDEPRZDYLAEQKN-UHFFFAOYSA-N
XLogP1.83
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[3-[(3,4-difluorophenyl)methyl]pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166239722
4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662305
methyl 4-[(3-cyano-4-fluorophenyl)methyl]cyclohexane-1-carboxylate
CID 172582169
5-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883133
[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171712163
1-[(3-cyano-4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 107882866
3-[3-[(4-chlorophenyl)methyl]pyrrolidine-1-carbonyl]benzonitrile
CID 166617874
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116
3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 173469715
[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 163334101
3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 97134086
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile?
The IUPAC name of 5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile (CID 166295663) is 5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile is N#Cc1cc(CC2CCN(C(=O)C3CC(N)C3)C2)ccc1F.
What is the InChIKey of 5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile?
The InChIKey is ZDEPRZDYLAEQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-16-2-1-11(6-14(16)9-19)5-12-3-4-21(10-12)17(22)13-7-15(20)8-13/h1-2,6,12-13,15H,3-5,7-8,10,20H2.
What are the key properties of 5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile?
5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile has a molecular weight of 301.37 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile is sourced from PubChem (CID 166295663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).