2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide

C18H21N3O3 — CID 132770127

IUPAC2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCC(O)(COc2ccccc2)C1)Nc1ccccn1
InChIInChI=1S/C18H21N3O3/c22-17(20-16-8-4-5-10-19-16)12-21-11-9-18(23,13-21)14-24-15-6-2-1-3-7-15/h1-8,10,23H,9,11-14H2,(H,19,20,22)
InChIKeyBXVOPQFZKMOAOA-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.54
Rot. Bonds6

About 2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide

2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 132770127) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide
PubChem CID132770127
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1CCC(O)(COc2ccccc2)C1)Nc1ccccn1
InChIInChI=1S/C18H21N3O3/c22-17(20-16-8-4-5-10-19-16)12-21-11-9-18(23,13-21)14-24-15-6-2-1-3-7-15/h1-8,10,23H,9,11-14H2,(H,19,20,22)
InChIKeyBXVOPQFZKMOAOA-UHFFFAOYSA-N
XLogP1.54
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-N-pyridin-2-ylacetamide
CID 132770541
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 155991910
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(2-phenylethyl)acetamide
CID 155991932
ethyl 1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 126478028
N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]acetamide
CID 155991909
2-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 155991921
4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 166410262
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
2-[3-hydroxy-3-[(4-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 132764303
2-[3-[(4-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 132649278
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide (CID 132770127) is 2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide is O=C(CN1CCC(O)(COc2ccccc2)C1)Nc1ccccn1.
What is the InChIKey of 2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide?
The InChIKey is BXVOPQFZKMOAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c22-17(20-16-8-4-5-10-19-16)12-21-11-9-18(23,13-21)14-24-15-6-2-1-3-7-15/h1-8,10,23H,9,11-14H2,(H,19,20,22).
What are the key properties of 2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide?
2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 327.38 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 132770127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).