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

C19H22FN3O2 — CID 118740285

IUPAC[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C19H22FN3O2/c1-22(12-15-5-7-16(20)8-6-15)13-19(25)9-11-23(14-19)18(24)17-4-2-3-10-21-17/h2-8,10,25H,9,11-14H2,1H3
InChIKeyGQGODANECJTTAR-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.93
Rot. Bonds5

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

[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 118740285) 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-2-ylmethanone.

Molecular Properties

Compound Name[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID118740285
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccccn2)C1
InChIInChI=1S/C19H22FN3O2/c1-22(12-15-5-7-16(20)8-6-15)13-19(25)9-11-23(14-19)18(24)17-4-2-3-10-21-17/h2-8,10,25H,9,11-14H2,1H3
InChIKeyGQGODANECJTTAR-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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Frequently Asked Questions

What is the IUPAC name of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 118740285) is [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone is CN(Cc1ccc(F)cc1)CC1(O)CCN(C(=O)c2ccccn2)C1.
What is the InChIKey of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is GQGODANECJTTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22(12-15-5-7-16(20)8-6-15)13-19(25)9-11-23(14-19)18(24)17-4-2-3-10-21-17/h2-8,10,25H,9,11-14H2,1H3.
What are the key properties of [3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-ylmethanone?
[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-2-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-2-ylmethanone is sourced from PubChem (CID 118740285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).