2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide

C11H12FN5O — CID 107594967

IUPAC2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2ccncc2F)cn1
InChIInChI=1S/C11H12FN5O/c1-17-6-7(4-15-17)10(13)11(18)16-9-2-3-14-5-8(9)12/h2-6,10H,13H2,1H3,(H,14,16,18)
InChIKeyREKPJUNEAKOIMM-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.59
Rot. Bonds3

About 2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 107594967) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID107594967
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2ccncc2F)cn1
InChIInChI=1S/C11H12FN5O/c1-17-6-7(4-15-17)10(13)11(18)16-9-2-3-14-5-8(9)12/h2-6,10H,13H2,1H3,(H,14,16,18)
InChIKeyREKPJUNEAKOIMM-UHFFFAOYSA-N
XLogP0.59
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83166938
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771
2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289637
2-amino-N-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 114254664
2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289607
2-amino-N-(4-fluoro-3-nitrophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289947
methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]benzoate
CID 115289802
2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289709
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585
2-amino-N-(3-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 113279787
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 107594967) is 2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)Nc2ccncc2F)cn1.
What is the InChIKey of 2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is REKPJUNEAKOIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-17-6-7(4-15-17)10(13)11(18)16-9-2-3-14-5-8(9)12/h2-6,10H,13H2,1H3,(H,14,16,18).
What are the key properties of 2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 249.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 107594967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).