5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C22H27N3O3 — CID 131911884

IUPAC5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCOc1cccc(CCNC(=O)C2CC(=O)N(Cc3ccccn3)C2)c1
InChIInChI=1S/C22H27N3O3/c1-2-12-28-20-8-5-6-17(13-20)9-11-24-22(27)18-14-21(26)25(15-18)16-19-7-3-4-10-23-19/h3-8,10,13,18H,2,9,11-12,14-16H2,1H3,(H,24,27)
InChIKeyKWPGLNNSSKFKFO-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.58
Rot. Bonds9

About 5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 131911884) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID131911884
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCCOc1cccc(CCNC(=O)C2CC(=O)N(Cc3ccccn3)C2)c1
InChIInChI=1S/C22H27N3O3/c1-2-12-28-20-8-5-6-17(13-20)9-11-24-22(27)18-14-21(26)25(15-18)16-19-7-3-4-10-23-19/h3-8,10,13,18H,2,9,11-12,14-16H2,1H3,(H,24,27)
InChIKeyKWPGLNNSSKFKFO-UHFFFAOYSA-N
XLogP2.58
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide
CID 11210019
N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11221120
2-[4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 24765959
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
CID 3543999
N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)butanamide
CID 11652196
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 6215469
Pyridine-2-carboxylic acid [3-(2-m-tolyloxy-acetylamino)-propyl]-amide
CID 6456985
1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6494486
N-(3-methoxybenzyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 6623034
N-methyl-2-(3-methylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 936563

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 131911884) is 5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is CCCOc1cccc(CCNC(=O)C2CC(=O)N(Cc3ccccn3)C2)c1.
What is the InChIKey of 5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is KWPGLNNSSKFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-12-28-20-8-5-6-17(13-20)9-11-24-22(27)18-14-21(26)25(15-18)16-19-7-3-4-10-23-19/h3-8,10,13,18H,2,9,11-12,14-16H2,1H3,(H,24,27).
What are the key properties of 5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[2-(3-propoxyphenyl)ethyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 131911884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).