2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone

C17H19N3O2 — CID 119043365

IUPAC2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone
SMILESNC(C(=O)N1CCC(Oc2ccncc2)C1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c18-16(13-4-2-1-3-5-13)17(21)20-11-8-15(12-20)22-14-6-9-19-10-7-14/h1-7,9-10,15-16H,8,11-12,18H2
InChIKeyNSFLNLXBHCDOCR-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.76
Rot. Bonds4

About 2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone

2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone (PubChem CID 119043365) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone
PubChem CID119043365
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone
SMILESNC(C(=O)N1CCC(Oc2ccncc2)C1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c18-16(13-4-2-1-3-5-13)17(21)20-11-8-15(12-20)22-14-6-9-19-10-7-14/h1-7,9-10,15-16H,8,11-12,18H2
InChIKeyNSFLNLXBHCDOCR-UHFFFAOYSA-N
XLogP1.76
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 99852524
2-amino-1-(4-phenoxypiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 119290335
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
CID 71852474
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
2-amino-2-phenyl-1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]ethanone
CID 119341905
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410
(2R)-2-hydroxy-2-phenyl-1-[(3S)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethanone
CID 100622951
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124878377

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone (CID 119043365) is 2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone is NC(C(=O)N1CCC(Oc2ccncc2)C1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is NSFLNLXBHCDOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-16(13-4-2-1-3-5-13)17(21)20-11-8-15(12-20)22-14-6-9-19-10-7-14/h1-7,9-10,15-16H,8,11-12,18H2.
What are the key properties of 2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone?
2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 297.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 119043365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).