N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide

C18H19N3O2 — CID 110640106

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)c1cccnc1
InChIInChI=1S/C18H19N3O2/c22-17-9-15(10-20-18(23)16-7-4-8-19-11-16)13-21(17)12-14-5-2-1-3-6-14/h1-8,11,15H,9-10,12-13H2,(H,20,23)
InChIKeyTUUHDVOQMDXRGK-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.86
Rot. Bonds5

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 110640106) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID110640106
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CC(=O)N(Cc2ccccc2)C1)c1cccnc1
InChIInChI=1S/C18H19N3O2/c22-17-9-15(10-20-18(23)16-7-4-8-19-11-16)13-21(17)12-14-5-2-1-3-6-14/h1-8,11,15H,9-10,12-13H2,(H,20,23)
InChIKeyTUUHDVOQMDXRGK-UHFFFAOYSA-N
XLogP1.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide (CID 110640106) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide is O=C(NCC1CC(=O)N(Cc2ccccc2)C1)c1cccnc1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is TUUHDVOQMDXRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-9-15(10-20-18(23)16-7-4-8-19-11-16)13-21(17)12-14-5-2-1-3-6-14/h1-8,11,15H,9-10,12-13H2,(H,20,23).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 110640106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).