2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide

C13H11FN4O3 — CID 107337752

IUPAC2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H11FN4O3/c14-8-1-4-11(12(5-8)18(20)21)17-13(19)6-10-3-2-9(15)7-16-10/h1-5,7H,6,15H2,(H,17,19)
InChIKeyAYVNCEJQFRSZHY-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.89
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide

2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide (PubChem CID 107337752) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide
PubChem CID107337752
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide
SMILESNc1ccc(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nc1
InChIInChI=1S/C13H11FN4O3/c14-8-1-4-11(12(5-8)18(20)21)17-13(19)6-10-3-2-9(15)7-16-10/h1-5,7H,6,15H2,(H,17,19)
InChIKeyAYVNCEJQFRSZHY-UHFFFAOYSA-N
XLogP1.89
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(4-bromo-2-nitrophenyl)acetamide
CID 107337837
2-(5-amino-2-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 107337459
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-fluorophenyl)acetamide
CID 107528543
2-(5-amino-2-pyridinyl)-N-(2-chloro-4-nitrophenyl)acetamide
CID 107337756
2-(5-amino-2-pyridinyl)-N-(2-bromo-5-nitrophenyl)acetamide
CID 107339371
2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468
(4-fluoro-2-nitrophenyl)urea
CID 69476086
2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 107337386
2-(5-amino-2-pyridinyl)-N-(4-cyano-2-fluorophenyl)acetamide
CID 107339400
3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide
CID 107337783
2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 114052733
2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide
CID 107338694

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide (CID 107337752) is 2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide is Nc1ccc(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide?
The InChIKey is AYVNCEJQFRSZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c14-8-1-4-11(12(5-8)18(20)21)17-13(19)6-10-3-2-9(15)7-16-10/h1-5,7H,6,15H2,(H,17,19).
What are the key properties of 2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide?
2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide has a molecular weight of 290.25 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)acetamide is sourced from PubChem (CID 107337752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).