3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one

C19H22FN3O — CID 118740108

IUPAC3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCNc1cc(C2CCCN2C(=O)CCc2ccccc2F)ccn1
InChIInChI=1S/C19H22FN3O/c1-21-18-13-15(10-11-22-18)17-7-4-12-23(17)19(24)9-8-14-5-2-3-6-16(14)20/h2-3,5-6,10-11,13,17H,4,7-9,12H2,1H3,(H,21,22)
InChIKeyBHGUHRFWYYTUEC-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.56
Rot. Bonds5

About 3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one

3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 118740108) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
PubChem CID118740108
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCNc1cc(C2CCCN2C(=O)CCc2ccccc2F)ccn1
InChIInChI=1S/C19H22FN3O/c1-21-18-13-15(10-11-22-18)17-7-4-12-23(17)19(24)9-8-14-5-2-3-6-16(14)20/h2-3,5-6,10-11,13,17H,4,7-9,12H2,1H3,(H,21,22)
InChIKeyBHGUHRFWYYTUEC-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one (CID 118740108) is 3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one is CNc1cc(C2CCCN2C(=O)CCc2ccccc2F)ccn1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is BHGUHRFWYYTUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-21-18-13-15(10-11-22-18)17-7-4-12-23(17)19(24)9-8-14-5-2-3-6-16(14)20/h2-3,5-6,10-11,13,17H,4,7-9,12H2,1H3,(H,21,22).
What are the key properties of 3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one?
3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 327.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 118740108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).