4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide

C21H20FN3O — CID 109220451

IUPAC4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(Nc3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C21H20FN3O/c1-14(2)15-3-7-18(8-4-15)25-21(26)20-13-19(11-12-23-20)24-17-9-5-16(22)6-10-17/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyPXFUQIPTQOKEDM-UHFFFAOYSA-N
MW349.41 g/mol
LogP5.34
Rot. Bonds5

About 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide

4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 109220451) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID109220451
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(Nc3ccc(F)cc3)ccn2)cc1
InChIInChI=1S/C21H20FN3O/c1-14(2)15-3-7-18(8-4-15)25-21(26)20-13-19(11-12-23-20)24-17-9-5-16(22)6-10-17/h3-14H,1-2H3,(H,23,24)(H,25,26)
InChIKeyPXFUQIPTQOKEDM-UHFFFAOYSA-N
XLogP5.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.41
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
methyl 4-[[2-[(4-propan-2-ylphenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109220466
N-(3,4-dichlorophenyl)-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109220837
4-hydrazinyl-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 62238190
N-(4-fluorophenyl)-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201597
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
4-(3-acetylanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220749
4-bromo-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86695853
4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109201983
N-butan-2-yl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109203336
4-(4-acetylanilino)-N-(4-acetylphenyl)pyridine-2-carboxamide
CID 109222150
N-(4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 110858652

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide (CID 109220451) is 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccc(NC(=O)c2cc(Nc3ccc(F)cc3)ccn2)cc1.
What is the InChIKey of 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is PXFUQIPTQOKEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14(2)15-3-7-18(8-4-15)25-21(26)20-13-19(11-12-23-20)24-17-9-5-16(22)6-10-17/h3-14H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide?
4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109220451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).