N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide

C14H12FN3O2 — CID 75523855

IUPACN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
SMILESNC(=O)C(NC(=O)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O2/c15-11-3-1-9(2-4-11)12(13(16)19)18-14(20)10-5-7-17-8-6-10/h1-8,12H,(H2,16,19)(H,18,20)
InChIKeyXHGNZJOZIJUDFM-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.18
Rot. Bonds4

About N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide

N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 75523855) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID75523855
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC NameN-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
SMILESNC(=O)C(NC(=O)c1ccncc1)c1ccc(F)cc1
InChIInChI=1S/C14H12FN3O2/c15-11-3-1-9(2-4-11)12(13(16)19)18-14(20)10-5-7-17-8-6-10/h1-8,12H,(H2,16,19)(H,18,20)
InChIKeyXHGNZJOZIJUDFM-UHFFFAOYSA-N
XLogP1.18
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-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-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]thiophene-3-carboxamide
CID 75508902
N-[1-(4-fluorophenyl)-2-methylpropyl]pyridine-4-carboxamide
CID 47009683
N-[(2R)-1,3-diamino-1-oxo-3-sulfanylidenepropan-2-yl]pyridine-4-carboxamide
CID 92864050
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4,4,4-trifluorobutanamide
CID 75508909
(2R)-2-(4-fluorophenyl)-2-(pyridin-2-ylcarbamoylamino)acetamide
CID 100749906
N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-4-fluoro-2-nitrobenzamide
CID 97309297
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 110286640
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 75508914
3-amino-N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167907373
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide (CID 75523855) is N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide is NC(=O)C(NC(=O)c1ccncc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is XHGNZJOZIJUDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-11-3-1-9(2-4-11)12(13(16)19)18-14(20)10-5-7-17-8-6-10/h1-8,12H,(H2,16,19)(H,18,20).
What are the key properties of N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide?
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 75523855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).