3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one

C17H20N2O — CID 13070823

IUPAC3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one
SMILESCC(=O)C(C)Nc1cccc(CCc2ccccc2)n1
InChIInChI=1S/C17H20N2O/c1-13(14(2)20)18-17-10-6-9-16(19-17)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,18,19)
InChIKeyWLBPTLMGSUNALJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.26
Rot. Bonds6

About 3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one

3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one (PubChem CID 13070823) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one.

Molecular Properties

Compound Name3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one
PubChem CID13070823
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one
SMILESCC(=O)C(C)Nc1cccc(CCc2ccccc2)n1
InChIInChI=1S/C17H20N2O/c1-13(14(2)20)18-17-10-6-9-16(19-17)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,18,19)
InChIKeyWLBPTLMGSUNALJ-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2-phenylethyl)-2-pyridinyl]ethanone
CID 102432683
2-[6-(2-phenylethyl)-2-pyridinyl]ethanol
CID 117001687
(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
CID 67254452
2-(pyridin-2-ylamino)propanoic acid;hydrate;dihydrochloride
CID 70348749
2-N-methyl-6-N-(4-phenylbutan-2-yl)pyridine-2,6-diamine
CID 80811958
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417
6-hydrazinyl-N-(4-phenylbutan-2-yl)pyridin-2-amine
CID 80903512
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
3-methyl-6-phenylhexan-2-one
CID 59396975
2-[(8-hydroxyquinolin-2-yl)amino]propanoic acid
CID 174996236
ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate
CID 61499213

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one?
The IUPAC name of 3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one (CID 13070823) is 3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one.
What is the SMILES notation for 3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one?
The canonical SMILES for 3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one is CC(=O)C(C)Nc1cccc(CCc2ccccc2)n1.
What is the InChIKey of 3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one?
The InChIKey is WLBPTLMGSUNALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(14(2)20)18-17-10-6-9-16(19-17)12-11-15-7-4-3-5-8-15/h3-10,13H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one?
3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2-phenylethyl)-2-pyridinyl]amino]butan-2-one is sourced from PubChem (CID 13070823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).