4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide

C23H21FN4O2 — CID 118046923

IUPAC4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
SMILESNc1ncc(C2CNC(=O)C2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C23H21FN4O2/c24-20-9-15(6-7-18(20)23(30)28-11-14-4-2-1-3-5-14)19-8-16(13-27-22(19)25)17-10-21(29)26-12-17/h1-9,13,17H,10-12H2,(H2,25,27)(H,26,29)(H,28,30)
InChIKeyPQOPRFGCOWRCLN-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.00
Rot. Bonds5

About 4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide

4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide (PubChem CID 118046923) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
PubChem CID118046923
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
SMILESNc1ncc(C2CNC(=O)C2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C23H21FN4O2/c24-20-9-15(6-7-18(20)23(30)28-11-14-4-2-1-3-5-14)19-8-16(13-27-22(19)25)17-10-21(29)26-12-17/h1-9,13,17H,10-12H2,(H2,25,27)(H,26,29)(H,28,30)
InChIKeyPQOPRFGCOWRCLN-UHFFFAOYSA-N
XLogP3.00
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
The IUPAC name of 4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide (CID 118046923) is 4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide.
What is the SMILES notation for 4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
The canonical SMILES for 4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide is Nc1ncc(C2CNC(=O)C2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1.
What is the InChIKey of 4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
The InChIKey is PQOPRFGCOWRCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c24-20-9-15(6-7-18(20)23(30)28-11-14-4-2-1-3-5-14)19-8-16(13-27-22(19)25)17-10-21(29)26-12-17/h1-9,13,17H,10-12H2,(H2,25,27)(H,26,29)(H,28,30).
What are the key properties of 4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide has a molecular weight of 404.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(5-oxopyrrolidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide is sourced from PubChem (CID 118046923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).