N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide

C23H23FN4O — CID 109163238

IUPACN-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(Nc2ccc(N3CCCCC3)cc2)nc1
InChIInChI=1S/C23H23FN4O/c24-20-6-2-3-7-21(20)27-23(29)17-8-13-22(25-16-17)26-18-9-11-19(12-10-18)28-14-4-1-5-15-28/h2-3,6-13,16H,1,4-5,14-15H2,(H,25,26)(H,27,29)
InChIKeyPTUVWEIREBYINF-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.21
Rot. Bonds5

About N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide

N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 109163238) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
PubChem CID109163238
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(Nc2ccc(N3CCCCC3)cc2)nc1
InChIInChI=1S/C23H23FN4O/c24-20-6-2-3-7-21(20)27-23(29)17-8-13-22(25-16-17)26-18-9-11-19(12-10-18)28-14-4-1-5-15-28/h2-3,6-13,16H,1,4-5,14-15H2,(H,25,26)(H,27,29)
InChIKeyPTUVWEIREBYINF-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
N-(2-fluorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109198850
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109156245
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713
N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109268626
6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163225
[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1447856
3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021007

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide (CID 109163238) is N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide is O=C(Nc1ccccc1F)c1ccc(Nc2ccc(N3CCCCC3)cc2)nc1.
What is the InChIKey of N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is PTUVWEIREBYINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c24-20-6-2-3-7-21(20)27-23(29)17-8-13-22(25-16-17)26-18-9-11-19(12-10-18)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 N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)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 N-(2-fluorophenyl)-6-(4-piperidin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109163238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).