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

C19H21N3O2 — CID 78770918

IUPAC1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H21N3O2/c1-21(12-16-8-5-9-20-11-16)19(24)17-10-18(23)22(14-17)13-15-6-3-2-4-7-15/h2-9,11,17H,10,12-14H2,1H3
InChIKeyWPCLSYJCLHCZCM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.09
Rot. Bonds5

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

1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 78770918) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID78770918
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C19H21N3O2/c1-21(12-16-8-5-9-20-11-16)19(24)17-10-18(23)22(14-17)13-15-6-3-2-4-7-15/h2-9,11,17H,10,12-14H2,1H3
InChIKeyWPCLSYJCLHCZCM-UHFFFAOYSA-N
XLogP2.09
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 78770918) is 1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1cccnc1)C(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is WPCLSYJCLHCZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-21(12-16-8-5-9-20-11-16)19(24)17-10-18(23)22(14-17)13-15-6-3-2-4-7-15/h2-9,11,17H,10,12-14H2,1H3.
What are the key properties of 1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 78770918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).