4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide

C24H25FN4O — CID 144840517

IUPAC4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide
SMILESNc1ncc(C2CCNCC2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C24H25FN4O/c25-22-13-18(6-7-20(22)24(30)29-14-16-4-2-1-3-5-16)21-12-19(15-28-23(21)26)17-8-10-27-11-9-17/h1-7,12-13,15,17,27H,8-11,14H2,(H2,26,28)(H,29,30)
InChIKeyAXZKTMAGDOCLNA-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.87
Rot. Bonds5

About 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide

4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide (PubChem CID 144840517) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide
PubChem CID144840517
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide
SMILESNc1ncc(C2CCNCC2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1
InChIInChI=1S/C24H25FN4O/c25-22-13-18(6-7-20(22)24(30)29-14-16-4-2-1-3-5-16)21-12-19(15-28-23(21)26)17-8-10-27-11-9-17/h1-7,12-13,15,17,27H,8-11,14H2,(H2,26,28)(H,29,30)
InChIKeyAXZKTMAGDOCLNA-UHFFFAOYSA-N
XLogP3.87
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide?
The IUPAC name of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide (CID 144840517) is 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide.
What is the SMILES notation for 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide?
The canonical SMILES for 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide is Nc1ncc(C2CCNCC2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1.
What is the InChIKey of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide?
The InChIKey is AXZKTMAGDOCLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c25-22-13-18(6-7-20(22)24(30)29-14-16-4-2-1-3-5-16)21-12-19(15-28-23(21)26)17-8-10-27-11-9-17/h1-7,12-13,15,17,27H,8-11,14H2,(H2,26,28)(H,29,30).
What are the key properties of 4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide?
4-(2-amino-5-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide has a molecular weight of 404.49 g/mol, XLogP of 3.87, 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-piperidin-4-yl-3-pyridinyl)-N-benzyl-2-fluorobenzamide is sourced from PubChem (CID 144840517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).