4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one

C15H16N2O — CID 116553063

IUPAC4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
SMILESNC(CC(=O)Cc1cccnc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c16-15(13-6-2-1-3-7-13)10-14(18)9-12-5-4-8-17-11-12/h1-8,11,15H,9-10,16H2
InChIKeyDYEGWHSKXRCINH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.28
Rot. Bonds5

About 4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one

4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one (PubChem CID 116553063) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
PubChem CID116553063
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
SMILESNC(CC(=O)Cc1cccnc1)c1ccccc1
InChIInChI=1S/C15H16N2O/c16-15(13-6-2-1-3-7-13)10-14(18)9-12-5-4-8-17-11-12/h1-8,11,15H,9-10,16H2
InChIKeyDYEGWHSKXRCINH-UHFFFAOYSA-N
XLogP2.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
1-amino-1,6-diphenylhexan-3-one
CID 116552978
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
3-amino-3-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 67329500
4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one
CID 116553095
CID 66868100
CID 66868100
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
1-(2-fluorophenyl)sulfanyl-3-pyridin-3-ylpropan-2-one
CID 113446890

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one?
The IUPAC name of 4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one (CID 116553063) is 4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one?
The canonical SMILES for 4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one is NC(CC(=O)Cc1cccnc1)c1ccccc1.
What is the InChIKey of 4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one?
The InChIKey is DYEGWHSKXRCINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-15(13-6-2-1-3-7-13)10-14(18)9-12-5-4-8-17-11-12/h1-8,11,15H,9-10,16H2.
What are the key properties of 4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one?
4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one has a molecular weight of 240.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 116553063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).