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

C14H14FN3OS — CID 43187475

IUPACN-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H14FN3OS/c1-9(20-13-4-2-3-7-17-13)14(19)18-10-5-6-11(15)12(16)8-10/h2-9H,16H2,1H3,(H,18,19)
InChIKeyCYZZJLBBPXIBJI-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.92
Rot. Bonds4

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

N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 43187475) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID43187475
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC NameN-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H14FN3OS/c1-9(20-13-4-2-3-7-17-13)14(19)18-10-5-6-11(15)12(16)8-10/h2-9H,16H2,1H3,(H,18,19)
InChIKeyCYZZJLBBPXIBJI-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97003188
4-[[(2R)-2-pyridin-2-ylsulfanylpropanoyl]amino]benzamide
CID 8813442
(2R)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 40821848
(2R)-N-(3-hydroxy-4-methoxyphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 99802302
N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 43093514
N-(2,5-dichlorophenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 16530287
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 40792740
N-(3-amino-4-fluorophenyl)-2-butan-2-ylsulfanylpropanamide
CID 43188452
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
(2S)-N-(3-acetamido-4-fluorophenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 94033104
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
2-pyridin-2-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234179

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide (CID 43187475) is N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is CYZZJLBBPXIBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-9(20-13-4-2-3-7-17-13)14(19)18-10-5-6-11(15)12(16)8-10/h2-9H,16H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide?
N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 43187475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).