1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C19H21N3O3 — CID 6494486

IUPAC1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)NCc3ccccn3)CC2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-2-25-17-8-6-16(7-9-17)22-13-14(11-18(22)23)19(24)21-12-15-5-3-4-10-20-15/h3-10,14H,2,11-13H2,1H3,(H,21,24)
InChIKeyLSKQWKAIIMGSMD-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.15
Rot. Bonds6

About 1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 6494486) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID6494486
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)NCc3ccccn3)CC2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-2-25-17-8-6-16(7-9-17)22-13-14(11-18(22)23)19(24)21-12-15-5-3-4-10-20-15/h3-10,14H,2,11-13H2,1H3,(H,21,24)
InChIKeyLSKQWKAIIMGSMD-UHFFFAOYSA-N
XLogP2.15
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 846930
N-(4-Ethoxyphenyl)picolinamide
CID 904031
(4S)-4-amino-N-(4-phenoxyphenyl)-5-(1H-pyrrol-1-yl)pentanamide
CID 24901642
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
1-(4-Ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6465574
1-[3-(4-Acetamidophenoxy)propyl]pyridin-1-ium chloride
CID 16188723
1-isonicotinoyl-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816856
N-(4-isopropoxyphenyl)isonicotinamide
CID 731089
nicotinaldehyde O-4-butoxyphenylcarbamoyl oxime
CID 20872718
nicotinaldehyde O-4-(hexyloxy)phenylcarbamoyl oxime
CID 20872724
nicotinaldehyde O-4-(pentyloxy)phenylcarbamoyl oxime
CID 20872727
nicotinaldehyde O-4-propoxyphenylcarbamoyl oxime
CID 20872731

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 6494486) is 1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)NCc3ccccn3)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is LSKQWKAIIMGSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-25-17-8-6-16(7-9-17)22-13-14(11-18(22)23)19(24)21-12-15-5-3-4-10-20-15/h3-10,14H,2,11-13H2,1H3,(H,21,24).
What are the key properties of 1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 6494486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).