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

C18H19N3O2 — CID 2963134

IUPAC1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccccn3)CC2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-13-5-7-16(8-6-13)21-12-14(10-17(21)22)18(23)20-11-15-4-2-3-9-19-15/h2-9,14H,10-12H2,1H3,(H,20,23)
InChIKeyHTGDVHXMAXZMND-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.06
Rot. Bonds4

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

1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 2963134) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID2963134
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NCc3ccccn3)CC2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-13-5-7-16(8-6-13)21-12-14(10-17(21)22)18(23)20-11-15-4-2-3-9-19-15/h2-9,14H,10-12H2,1H3,(H,20,23)
InChIKeyHTGDVHXMAXZMND-UHFFFAOYSA-N
XLogP2.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 2963134) is 1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NCc3ccccn3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is HTGDVHXMAXZMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-5-7-16(8-6-13)21-12-14(10-17(21)22)18(23)20-11-15-4-2-3-9-19-15/h2-9,14H,10-12H2,1H3,(H,20,23).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 2963134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).