6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

C23H23FN4O — CID 109163278

IUPAC6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C23H23FN4O/c24-18-5-7-19(8-6-18)26-22-13-4-17(16-25-22)23(29)27-20-9-11-21(12-10-20)28-14-2-1-3-15-28/h4-13,16H,1-3,14-15H2,(H,25,26)(H,27,29)
InChIKeySVXGMKOTJZGWQT-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.21
Rot. Bonds5

About 6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide

6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 109163278) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID109163278
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Nc2ccc(F)cc2)nc1
InChIInChI=1S/C23H23FN4O/c24-18-5-7-19(8-6-18)26-22-13-4-17(16-25-22)23(29)27-20-9-11-21(12-10-20)28-14-2-1-3-15-28/h4-13,16H,1-3,14-15H2,(H,25,26)(H,27,29)
InChIKeySVXGMKOTJZGWQT-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
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021007
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109164736
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 109163278) is 6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(Nc2ccc(F)cc2)nc1.
What is the InChIKey of 6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is SVXGMKOTJZGWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-18-5-7-19(8-6-18)26-22-13-4-17(16-25-22)23(29)27-20-9-11-21(12-10-20)28-14-2-1-3-15-28/h4-13,16H,1-3,14-15H2,(H,25,26)(H,27,29).
What are the key properties of 6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide?
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide 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 6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109163278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).