4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide

C24H23FN4O2 — CID 118054625

IUPAC4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
SMILESNc1ncc(C2CCC(=O)NC2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C24H23FN4O2/c25-21-11-16(6-8-19(21)24(31)29-12-15-4-2-1-3-5-15)20-10-18(14-28-23(20)26)17-7-9-22(30)27-13-17/h1-6,8,10-11,14,17H,7,9,12-13H2,(H2,26,28)(H,27,30)(H,29,31)
InChIKeyFWDWEVTUSIDVMS-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.39
Rot. Bonds5

About 4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide

4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide (PubChem CID 118054625) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
PubChem CID118054625
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide
SMILESNc1ncc(C2CCC(=O)NC2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C24H23FN4O2/c25-21-11-16(6-8-19(21)24(31)29-12-15-4-2-1-3-5-15)20-10-18(14-28-23(20)26)17-7-9-22(30)27-13-17/h1-6,8,10-11,14,17H,7,9,12-13H2,(H2,26,28)(H,27,30)(H,29,31)
InChIKeyFWDWEVTUSIDVMS-UHFFFAOYSA-N
XLogP3.39
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.39
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-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
The IUPAC name of 4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide (CID 118054625) is 4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide.
What is the SMILES notation for 4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
The canonical SMILES for 4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide is Nc1ncc(C2CCC(=O)NC2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1.
What is the InChIKey of 4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
The InChIKey is FWDWEVTUSIDVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-21-11-16(6-8-19(21)24(31)29-12-15-4-2-1-3-5-15)20-10-18(14-28-23(20)26)17-7-9-22(30)27-13-17/h1-6,8,10-11,14,17H,7,9,12-13H2,(H2,26,28)(H,27,30)(H,29,31).
What are the key properties of 4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide?
4-[2-amino-5-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide has a molecular weight of 418.47 g/mol, XLogP of 3.39, 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-(6-oxopiperidin-3-yl)-3-pyridinyl]-N-benzyl-2-fluorobenzamide is sourced from PubChem (CID 118054625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).