5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one

C11H15FN2O — CID 116613600

IUPAC5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O/c1-8(3-2-4-13)11(15)9-5-10(12)7-14-6-9/h5-8H,2-4,13H2,1H3
InChIKeyCIFBRRLFCOYDQY-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.78
Rot. Bonds5

About 5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one

5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one (PubChem CID 116613600) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one
PubChem CID116613600
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)c1cncc(F)c1
InChIInChI=1S/C11H15FN2O/c1-8(3-2-4-13)11(15)9-5-10(12)7-14-6-9/h5-8H,2-4,13H2,1H3
InChIKeyCIFBRRLFCOYDQY-UHFFFAOYSA-N
XLogP1.78
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one
CID 116613443
2-ethyl-1-(5-fluoro-3-pyridinyl)butan-1-one
CID 114963530
2-amino-1-(5-fluoro-3-pyridinyl)-3-methoxypropan-1-one
CID 116594166
1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
CID 116708326
N-(1-aminopropan-2-yl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 115737346
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 104785540
[4-(4-aminobutyl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 104785306
N-(2-chloropropyl)-5-fluoropyridine-3-carboxamide
CID 104786575
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
ethyl 2-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694602
6-amino-1-(2-bromo-5-fluorophenyl)-3-methylhexan-2-one
CID 116613456

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one (CID 116613600) is 5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one is CC(CCCN)C(=O)c1cncc(F)c1.
What is the InChIKey of 5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one?
The InChIKey is CIFBRRLFCOYDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-8(3-2-4-13)11(15)9-5-10(12)7-14-6-9/h5-8H,2-4,13H2,1H3.
What are the key properties of 5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one?
5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one has a molecular weight of 210.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one is sourced from PubChem (CID 116613600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).