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

C23H23FN4O — CID 113021055

IUPAC2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1)c1ccccc1F
InChIInChI=1S/C23H23FN4O/c24-21-7-3-2-6-20(21)23(29)27-18-10-13-22(25-16-18)26-17-8-11-19(12-9-17)28-14-4-1-5-15-28/h2-3,6-13,16H,1,4-5,14-15H2,(H,25,26)(H,27,29)
InChIKeyLEMATJLVXIAIBM-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.21
Rot. Bonds5

About 2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide

2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide (PubChem CID 113021055) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
PubChem CID113021055
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1)c1ccccc1F
InChIInChI=1S/C23H23FN4O/c24-21-7-3-2-6-20(21)23(29)27-18-10-13-22(25-16-18)26-17-8-11-19(12-9-17)28-14-4-1-5-15-28/h2-3,6-13,16H,1,4-5,14-15H2,(H,25,26)(H,27,29)
InChIKeyLEMATJLVXIAIBM-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

3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109163238
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
N-[6-(4-acetamidoanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113020547
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
2-fluoro-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019493
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041
2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 46267964
3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021007
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]-2-fluorobenzamide
CID 113020947
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide (CID 113021055) is 2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide is O=C(Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
The InChIKey is LEMATJLVXIAIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-21-7-3-2-6-20(21)23(29)27-18-10-13-22(25-16-18)26-17-8-11-19(12-9-17)28-14-4-1-5-15-28/h2-3,6-13,16H,1,4-5,14-15H2,(H,25,26)(H,27,29).
What are the key properties of 2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
2-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 2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113021055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).