N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide

C13H12FN3O2 — CID 62880823

IUPACN-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide
SMILESNc1cc(NC(=O)Cn2ccc(=O)cc2)ccc1F
InChIInChI=1S/C13H12FN3O2/c14-11-2-1-9(7-12(11)15)16-13(19)8-17-5-3-10(18)4-6-17/h1-7H,8,15H2,(H,16,19)
InChIKeyOIXWMZRYPXSGHC-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.21
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide

N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide (PubChem CID 62880823) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide
PubChem CID62880823
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide
SMILESNc1cc(NC(=O)Cn2ccc(=O)cc2)ccc1F
InChIInChI=1S/C13H12FN3O2/c14-11-2-1-9(7-12(11)15)16-13(19)8-17-5-3-10(18)4-6-17/h1-7H,8,15H2,(H,16,19)
InChIKeyOIXWMZRYPXSGHC-UHFFFAOYSA-N
XLogP1.21
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.21
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

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N-(3-amino-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
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N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
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N-(3-amino-4-fluorophenyl)-2-(1,4-thiazepan-4-yl)acetamide
CID 61418614
N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592180
N-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide (CID 62880823) is N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide is Nc1cc(NC(=O)Cn2ccc(=O)cc2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide?
The InChIKey is OIXWMZRYPXSGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-11-2-1-9(7-12(11)15)16-13(19)8-17-5-3-10(18)4-6-17/h1-7H,8,15H2,(H,16,19).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide?
N-(3-amino-4-fluorophenyl)-2-(4-oxo-1-pyridinyl)acetamide has a molecular weight of 261.26 g/mol, XLogP of 1.21, 3 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-(4-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 62880823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).