1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one

C16H17FN2O — CID 64759762

IUPAC1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one
SMILESCC(C)(C(=O)Cc1cnccc1N)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-16(2,12-3-5-13(17)6-4-12)15(20)9-11-10-19-8-7-14(11)18/h3-8,10H,9H2,1-2H3,(H2,18,19)
InChIKeyNMJFVKPLMJTACY-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.89
Rot. Bonds4

About 1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one

1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one (PubChem CID 64759762) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one
PubChem CID64759762
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one
SMILESCC(C)(C(=O)Cc1cnccc1N)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O/c1-16(2,12-3-5-13(17)6-4-12)15(20)9-11-10-19-8-7-14(11)18/h3-8,10H,9H2,1-2H3,(H2,18,19)
InChIKeyNMJFVKPLMJTACY-UHFFFAOYSA-N
XLogP2.89
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-amino-3-pyridinyl)-3-cyclopropylbutan-2-one
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1-(4-amino-3-pyridinyl)-3-ethoxy-3-methylpentan-2-one
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4-amino-1-(4-amino-3-pyridinyl)-5,5-dimethylhexan-2-one
CID 116608441
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391
3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)-3-methylbutan-2-one
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3-(4-aminophenyl)-1-(2-bromo-4-fluorophenyl)-3-methylbutan-2-one
CID 116598686
3-(4-aminophenyl)-1-(2-bromo-5-fluorophenyl)-3-methylbutan-2-one
CID 116598714
3-(4-aminophenyl)-1-(2-fluorophenyl)-3-methylbutan-2-one
CID 116598766
2-(4-amino-3-pyridinyl)-1-(5-chloro-2-fluorophenyl)ethanone
CID 114885260
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504
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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one (CID 64759762) is 1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one is CC(C)(C(=O)Cc1cnccc1N)c1ccc(F)cc1.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one?
The InChIKey is NMJFVKPLMJTACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-16(2,12-3-5-13(17)6-4-12)15(20)9-11-10-19-8-7-14(11)18/h3-8,10H,9H2,1-2H3,(H2,18,19).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one?
1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one has a molecular weight of 272.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-3-(4-fluorophenyl)-3-methylbutan-2-one is sourced from PubChem (CID 64759762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).