N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide

C21H16FN3O — CID 110296389

IUPACN-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
SMILESN#Cc1cccc(NC(=O)C(Cc2ccccn2)c2ccc(F)cc2)c1
InChIInChI=1S/C21H16FN3O/c22-17-9-7-16(8-10-17)20(13-18-5-1-2-11-24-18)21(26)25-19-6-3-4-15(12-19)14-23/h1-12,20H,13H2,(H,25,26)
InChIKeySELZFYFVMZQVMU-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.06
Rot. Bonds5

About N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide

N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide (PubChem CID 110296389) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
PubChem CID110296389
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC NameN-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
SMILESN#Cc1cccc(NC(=O)C(Cc2ccccn2)c2ccc(F)cc2)c1
InChIInChI=1S/C21H16FN3O/c22-17-9-7-16(8-10-17)20(13-18-5-1-2-11-24-18)21(26)25-19-6-3-4-15(12-19)14-23/h1-12,20H,13H2,(H,25,26)
InChIKeySELZFYFVMZQVMU-UHFFFAOYSA-N
XLogP4.06
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296356
2-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110296341
N-(2-chlorophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296355
2-(4-chlorophenyl)-N-(3-cyanophenyl)-3-pyridin-4-ylpropanamide
CID 110296890
2-(4-fluorophenyl)-N-propyl-3-pyridin-2-ylpropanamide
CID 110296265
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110296724
methyl 3-[[2-(4-chlorophenyl)-3-pyridin-2-ylpropanoyl]amino]benzoate
CID 110296720
2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpropanamide
CID 110296296
2-(4-chlorophenyl)-N-(2-cyanophenyl)-3-pyridin-2-ylpropanamide
CID 110296725
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791469
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-cyanophenyl)acetamide
CID 113163539
N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110614697

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide (CID 110296389) is N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide is N#Cc1cccc(NC(=O)C(Cc2ccccn2)c2ccc(F)cc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide?
The InChIKey is SELZFYFVMZQVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-17-9-7-16(8-10-17)20(13-18-5-1-2-11-24-18)21(26)25-19-6-3-4-15(12-19)14-23/h1-12,20H,13H2,(H,25,26).
What are the key properties of N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide?
N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide has a molecular weight of 345.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-fluorophenyl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 110296389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).