3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide

C18H21N3O2 — CID 71992036

IUPAC3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCn1cccc(NC(=O)N2CCC(Cc3ccccc3)C2)c1=O
InChIInChI=1S/C18H21N3O2/c1-20-10-5-8-16(17(20)22)19-18(23)21-11-9-15(13-21)12-14-6-3-2-4-7-14/h2-8,10,15H,9,11-13H2,1H3,(H,19,23)
InChIKeyYQZZAKLQSZGXJZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.48
Rot. Bonds3

About 3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide

3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 71992036) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID71992036
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCn1cccc(NC(=O)N2CCC(Cc3ccccc3)C2)c1=O
InChIInChI=1S/C18H21N3O2/c1-20-10-5-8-16(17(20)22)19-18(23)21-11-9-15(13-21)12-14-6-3-2-4-7-14/h2-8,10,15H,9,11-13H2,1H3,(H,19,23)
InChIKeyYQZZAKLQSZGXJZ-UHFFFAOYSA-N
XLogP2.48
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide (CID 71992036) is 3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide is Cn1cccc(NC(=O)N2CCC(Cc3ccccc3)C2)c1=O.
What is the InChIKey of 3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is YQZZAKLQSZGXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-10-5-8-16(17(20)22)19-18(23)21-11-9-15(13-21)12-14-6-3-2-4-7-14/h2-8,10,15H,9,11-13H2,1H3,(H,19,23).
What are the key properties of 3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide?
3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71992036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).