[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone

C19H22FN3O2 — CID 118740283

IUPAC[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C19H22FN3O2/c1-22(12-15-2-4-17(20)5-3-15)13-19(25)8-11-23(14-19)18(24)16-6-9-21-10-7-16/h2-7,9-10,25H,8,11-14H2,1H3
InChIKeyJTWYLHDDZLTOHR-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.93
Rot. Bonds5

About [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone

[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 118740283) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID118740283
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C19H22FN3O2/c1-22(12-15-2-4-17(20)5-3-15)13-19(25)8-11-23(14-19)18(24)16-6-9-21-10-7-16/h2-7,9-10,25H,8,11-14H2,1H3
InChIKeyJTWYLHDDZLTOHR-UHFFFAOYSA-N
XLogP1.93
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 127245267
[(3S)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124944169
2-cyclopentyl-1-[(3R)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]ethanone
CID 125015288
[(3S)-3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124947723
1-ethylsulfonyl-3-[[(4-fluorophenyl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 127248085
[3-hydroxy-3-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 127245257
(4-fluorophenyl)-[(3R)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 125003041
[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098082
ethyl (3S)-3-[(4-fluorophenyl)methyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 25291959
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62221509
(2,3-dimethylbenzimidazol-5-yl)-[3-[(4-fluorophenyl)methyl]-3-hydroxypyrrolidin-1-yl]methanone
CID 146133992
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125003277

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 118740283) is [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone is CN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccncc2)C1.
What is the InChIKey of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is JTWYLHDDZLTOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22(12-15-2-4-17(20)5-3-15)13-19(25)8-11-23(14-19)18(24)16-6-9-21-10-7-16/h2-7,9-10,25H,8,11-14H2,1H3.
What are the key properties of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 343.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 118740283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).