5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide

C19H21N3O3 — CID 649752

IUPAC5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-2-11-25-16-8-6-15(7-9-16)22-13-14(12-18(22)23)19(24)21-17-5-3-4-10-20-17/h3-10,14H,2,11-13H2,1H3,(H,20,21,24)
InChIKeyMNGIZVFAZVPSAC-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.86
Rot. Bonds6

About 5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide

5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 649752) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID649752
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESCCCOc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-2-11-25-16-8-6-15(7-9-16)22-13-14(12-18(22)23)19(24)21-17-5-3-4-10-20-17/h3-10,14H,2,11-13H2,1H3,(H,20,21,24)
InChIKeyMNGIZVFAZVPSAC-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide (CID 649752) is 5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide is CCCOc1ccc(N2CC(C(=O)Nc3ccccn3)CC2=O)cc1.
What is the InChIKey of 5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is MNGIZVFAZVPSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-11-25-16-8-6-15(7-9-16)22-13-14(12-18(22)23)19(24)21-17-5-3-4-10-20-17/h3-10,14H,2,11-13H2,1H3,(H,20,21,24).
What are the key properties of 5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide?
5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(4-propoxyphenyl)-N-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 649752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).