N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide

C13H12FN3O — CID 55148535

IUPACN-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide
SMILESNc1cnccc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O/c14-10-3-1-9(2-4-10)7-13(18)17-12-5-6-16-8-11(12)15/h1-6,8H,7,15H2,(H,16,17,18)
InChIKeyMIRFVGWWDVIDQR-UHFFFAOYSA-N
MW245.26 g/mol
LogP1.98
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide

N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide (PubChem CID 55148535) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide
PubChem CID55148535
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC NameN-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide
SMILESNc1cnccc1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O/c14-10-3-1-9(2-4-10)7-13(18)17-12-5-6-16-8-11(12)15/h1-6,8H,7,15H2,(H,16,17,18)
InChIKeyMIRFVGWWDVIDQR-UHFFFAOYSA-N
XLogP1.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594972
N-(2-amino-4,5-dimethylphenyl)-2-(4-fluorophenyl)acetamide
CID 62099099
N-(3-fluoro-4-pyridinyl)-2-(4-methylsulfanylphenyl)acetamide
CID 122132753
1-(3-amino-4-pyridinyl)-3-(2,4-difluorophenyl)urea
CID 63062599
N-(3-fluoro-4-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 75482660
N-(5-amino-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 16789035
N-(3-amino-4-pyridinyl)pentanamide
CID 63061735
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
N-(5-amino-2-fluorophenyl)-2-pyridin-4-ylacetamide
CID 16787056
N-(3-amino-4-pyridinyl)-4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 44594108
N-(5-amino-2-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 43144626
N-(3-amino-4-pyridinyl)-4-ethylbenzamide
CID 63062261

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide (CID 55148535) is N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide is Nc1cnccc1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide?
The InChIKey is MIRFVGWWDVIDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c14-10-3-1-9(2-4-10)7-13(18)17-12-5-6-16-8-11(12)15/h1-6,8H,7,15H2,(H,16,17,18).
What are the key properties of N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide?
N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide has a molecular weight of 245.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 55148535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).