(3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide

C18H19N3O4 — CID 94512704

IUPAC(3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)C1
InChIInChI=1S/C18H19N3O4/c19-18(23)13-8-10-21(11-13)17(22)12-24-14-4-6-15(7-5-14)25-16-3-1-2-9-20-16/h1-7,9,13H,8,10-12H2,(H2,19,23)/t13-/m0/s1
InChIKeyGNYSFLXMHILZQA-ZDUSSCGKSA-N
MW341.37 g/mol
LogP1.59
Rot. Bonds6

About (3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide

(3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide (PubChem CID 94512704) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide
PubChem CID94512704
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)C1
InChIInChI=1S/C18H19N3O4/c19-18(23)13-8-10-21(11-13)17(22)12-24-14-4-6-15(7-5-14)25-16-3-1-2-9-20-16/h1-7,9,13H,8,10-12H2,(H2,19,23)/t13-/m0/s1
InChIKeyGNYSFLXMHILZQA-ZDUSSCGKSA-N
XLogP1.59
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119538496
1-[(2R)-2-methylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36629682
4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide
CID 136515317
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36701987
1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 112836578
(3S)-1-(6-phenoxypyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 94512813
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119648660
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
1-[(2S)-2-methylmorpholin-4-yl]-2-(3-pyridin-2-yloxyphenoxy)ethanone
CID 25345417
1-[1-(2-naphthalen-2-yloxyacetyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153963
1-(2-methylpiperazin-1-yl)-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119470049
(3S)-1-[2-(3,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 38895516

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide (CID 94512704) is (3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)C1.
What is the InChIKey of (3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide?
The InChIKey is GNYSFLXMHILZQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O4/c19-18(23)13-8-10-21(11-13)17(22)12-24-14-4-6-15(7-5-14)25-16-3-1-2-9-20-16/h1-7,9,13H,8,10-12H2,(H2,19,23)/t13-/m0/s1.
What are the key properties of (3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide?
(3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-pyridin-2-yloxyphenoxy)acetyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94512704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).