3-amino-4-pyridin-2-ylbutan-2-one

C9H12N2O — CID 58265029

IUPAC3-amino-4-pyridin-2-ylbutan-2-one
SMILESCC(=O)C(N)Cc1ccccn1
InChIInChI=1S/C9H12N2O/c1-7(12)9(10)6-8-4-2-3-5-11-8/h2-5,9H,6,10H2,1H3
InChIKeyUFUDVDCGEMJTCA-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.54
Rot. Bonds3

About 3-amino-4-pyridin-2-ylbutan-2-one

3-amino-4-pyridin-2-ylbutan-2-one (PubChem CID 58265029) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-amino-4-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Name3-amino-4-pyridin-2-ylbutan-2-one
PubChem CID58265029
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-amino-4-pyridin-2-ylbutan-2-one
SMILESCC(=O)C(N)Cc1ccccn1
InChIInChI=1S/C9H12N2O/c1-7(12)9(10)6-8-4-2-3-5-11-8/h2-5,9H,6,10H2,1H3
InChIKeyUFUDVDCGEMJTCA-UHFFFAOYSA-N
XLogP0.54
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155
ethane;3-methyl-4-pyridin-2-ylbutan-2-one
CID 177154285
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
CID 69091689
2-amino-N',N'-dimethyl-3-pyridin-2-ylpropanehydrazide;hydrochloride
CID 67279388
(2R)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-(pyridin-2-ylamino)propanoic acid
CID 67254452
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-amino-3-pyridin-2-ylpropanal
CID 22556784
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-pyridin-2-ylbutan-2-one?
The IUPAC name of 3-amino-4-pyridin-2-ylbutan-2-one (CID 58265029) is 3-amino-4-pyridin-2-ylbutan-2-one.
What is the SMILES notation for 3-amino-4-pyridin-2-ylbutan-2-one?
The canonical SMILES for 3-amino-4-pyridin-2-ylbutan-2-one is CC(=O)C(N)Cc1ccccn1.
What is the InChIKey of 3-amino-4-pyridin-2-ylbutan-2-one?
The InChIKey is UFUDVDCGEMJTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(12)9(10)6-8-4-2-3-5-11-8/h2-5,9H,6,10H2,1H3.
What are the key properties of 3-amino-4-pyridin-2-ylbutan-2-one?
3-amino-4-pyridin-2-ylbutan-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 58265029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).