3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide

C23H23FN4O — CID 113021056

IUPAC3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1)c1cccc(F)c1
InChIInChI=1S/C23H23FN4O/c24-18-6-4-5-17(15-18)23(29)27-20-9-12-22(25-16-20)26-19-7-10-21(11-8-19)28-13-2-1-3-14-28/h4-12,15-16H,1-3,13-14H2,(H,25,26)(H,27,29)
InChIKeyJDNGGDFGCSGKBB-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.21
Rot. Bonds5

About 3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide

3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide (PubChem CID 113021056) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
PubChem CID113021056
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1)c1cccc(F)c1
InChIInChI=1S/C23H23FN4O/c24-18-6-4-5-17(15-18)23(29)27-20-9-12-22(25-16-20)26-19-7-10-21(11-8-19)28-13-2-1-3-14-28/h4-12,15-16H,1-3,13-14H2,(H,25,26)(H,27,29)
InChIKeyJDNGGDFGCSGKBB-UHFFFAOYSA-N
XLogP5.21
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021007
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
N-(3-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109270326
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109163238
N-[6-(3-acetylanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113020314
N-[6-(2,4-difluoroanilino)-3-pyridinyl]-3-fluorobenzamide
CID 113021858
2-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109270317
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
CID 113017898

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide (CID 113021056) is 3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
The InChIKey is JDNGGDFGCSGKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-18-6-4-5-17(15-18)23(29)27-20-9-12-22(25-16-20)26-19-7-10-21(11-8-19)28-13-2-1-3-14-28/h4-12,15-16H,1-3,13-14H2,(H,25,26)(H,27,29).
What are the key properties of 3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide has a molecular weight of 390.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113021056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).