N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

C17H25N3O3 — CID 46363610

IUPACN-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCOCCCNC(=O)C1(C)CCC(=O)N1Cc1cccnc1
InChIInChI=1S/C17H25N3O3/c1-3-23-11-5-10-19-16(22)17(2)8-7-15(21)20(17)13-14-6-4-9-18-12-14/h4,6,9,12H,3,5,7-8,10-11,13H2,1-2H3,(H,19,22)
InChIKeyXJIDPSIAJDOHHS-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.51
Rot. Bonds8

About N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide

N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 46363610) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID46363610
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCOCCCNC(=O)C1(C)CCC(=O)N1Cc1cccnc1
InChIInChI=1S/C17H25N3O3/c1-3-23-11-5-10-19-16(22)17(2)8-7-15(21)20(17)13-14-6-4-9-18-12-14/h4,6,9,12H,3,5,7-8,10-11,13H2,1-2H3,(H,19,22)
InChIKeyXJIDPSIAJDOHHS-UHFFFAOYSA-N
XLogP1.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide (CID 46363610) is N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is CCOCCCNC(=O)C1(C)CCC(=O)N1Cc1cccnc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is XJIDPSIAJDOHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-23-11-5-10-19-16(22)17(2)8-7-15(21)20(17)13-14-6-4-9-18-12-14/h4,6,9,12H,3,5,7-8,10-11,13H2,1-2H3,(H,19,22).
What are the key properties of N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide?
N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46363610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).