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

C14H14FN3O — CID 81466595

IUPACN-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
SMILESNc1cc(NC(=O)CCc2ccccn2)ccc1F
InChIInChI=1S/C14H14FN3O/c15-12-6-4-11(9-13(12)16)18-14(19)7-5-10-3-1-2-8-17-10/h1-4,6,8-9H,5,7,16H2,(H,18,19)
InChIKeyDSXJVNDTFVSYKO-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.37
Rot. Bonds4

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

N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide (PubChem CID 81466595) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
PubChem CID81466595
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC NameN-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
SMILESNc1cc(NC(=O)CCc2ccccn2)ccc1F
InChIInChI=1S/C14H14FN3O/c15-12-6-4-11(9-13(12)16)18-14(19)7-5-10-3-1-2-8-17-10/h1-4,6,8-9H,5,7,16H2,(H,18,19)
InChIKeyDSXJVNDTFVSYKO-UHFFFAOYSA-N
XLogP2.37
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide 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

2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 107526552
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
N-(2,6-difluorophenyl)-3-pyridin-2-ylpropanamide
CID 110389270
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
CID 60599784
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
N-(3-chloro-4-fluorophenyl)-3-(pyridin-2-ylmethylamino)propanamide
CID 109023392
N-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 47107070
N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
CID 16790819
3-pyridin-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 81485558
N-(3-amino-4-fluorophenyl)-2-(benzenesulfonyl)acetamide
CID 43444152

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide (CID 81466595) is N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide is Nc1cc(NC(=O)CCc2ccccn2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide?
The InChIKey is DSXJVNDTFVSYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-12-6-4-11(9-13(12)16)18-14(19)7-5-10-3-1-2-8-17-10/h1-4,6,8-9H,5,7,16H2,(H,18,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide?
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide has a molecular weight of 259.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 81466595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).