[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

C17H17FN2O — CID 84511159

IUPAC[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c18-15-7-5-13(6-8-15)11-16-4-2-10-20(16)17(21)14-3-1-9-19-12-14/h1,3,5-9,12,16H,2,4,10-11H2
InChIKeyTWZBJFFQMBENNN-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.07
Rot. Bonds3

About [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 84511159) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID84511159
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC1Cc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O/c18-15-7-5-13(6-8-15)11-16-4-2-10-20(16)17(21)14-3-1-9-19-12-14/h1,3,5-9,12,16H,2,4,10-11H2
InChIKeyTWZBJFFQMBENNN-UHFFFAOYSA-N
XLogP3.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61371830
4-[(2S)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzamide
CID 94805691
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099261
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
1-(4-fluorophenyl)-2-[1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 119052252
3-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661811

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 84511159) is [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC1Cc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is TWZBJFFQMBENNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-7-5-13(6-8-15)11-16-4-2-10-20(16)17(21)14-3-1-9-19-12-14/h1,3,5-9,12,16H,2,4,10-11H2.
What are the key properties of [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 284.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 84511159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).