N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide

C23H20FN3O2 — CID 17310597

IUPACN-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2ccccc2)c2ccccn2)CN1c1ccc(F)cc1
InChIInChI=1S/C23H20FN3O2/c24-19-9-11-20(12-10-19)26-16-18(14-22(26)28)23(29)27(21-8-4-5-13-25-21)15-17-6-2-1-3-7-17/h1-13,18H,14-16H2
InChIKeyNNGVHQLRJPQQAJ-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.81
Rot. Bonds5

About N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide

N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 17310597) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID17310597
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)N(Cc2ccccc2)c2ccccn2)CN1c1ccc(F)cc1
InChIInChI=1S/C23H20FN3O2/c24-19-9-11-20(12-10-19)26-16-18(14-22(26)28)23(29)27(21-8-4-5-13-25-21)15-17-6-2-1-3-7-17/h1-13,18H,14-16H2
InChIKeyNNGVHQLRJPQQAJ-UHFFFAOYSA-N
XLogP3.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide (CID 17310597) is N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide is O=C1CC(C(=O)N(Cc2ccccc2)c2ccccn2)CN1c1ccc(F)cc1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is NNGVHQLRJPQQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-19-9-11-20(12-10-19)26-16-18(14-22(26)28)23(29)27(21-8-4-5-13-25-21)15-17-6-2-1-3-7-17/h1-13,18H,14-16H2.
What are the key properties of N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide?
N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)-5-oxo-N-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17310597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).