4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one

C17H20N2O — CID 116552960

IUPAC4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one
SMILESCCc1ccc(CC(=O)CC(N)c2ccccc2)nc1
InChIInChI=1S/C17H20N2O/c1-2-13-8-9-15(19-12-13)10-16(20)11-17(18)14-6-4-3-5-7-14/h3-9,12,17H,2,10-11,18H2,1H3
InChIKeyCQUUCQHIXPKCBP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.85
Rot. Bonds6

About 4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one

4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one (PubChem CID 116552960) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one
PubChem CID116552960
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one
SMILESCCc1ccc(CC(=O)CC(N)c2ccccc2)nc1
InChIInChI=1S/C17H20N2O/c1-2-13-8-9-15(19-12-13)10-16(20)11-17(18)14-6-4-3-5-7-14/h3-9,12,17H,2,10-11,18H2,1H3
InChIKeyCQUUCQHIXPKCBP-UHFFFAOYSA-N
XLogP2.85
TPSA55.98 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(5-ethyl-2-pyridinyl)hexan-2-one
CID 116571567
4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 116553063
1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 116554816
4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one
CID 116553095
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
CID 116549923
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
1-(5-ethyl-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-one
CID 79745251
4-amino-1-(1-ethylimidazol-2-yl)-4-phenylbutan-2-one
CID 116552958
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-amine
CID 79748258
2-[(5-ethyl-2-pyridinyl)methyl]benzoic acid
CID 79740576
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one?
The IUPAC name of 4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one (CID 116552960) is 4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one.
What is the SMILES notation for 4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one?
The canonical SMILES for 4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one is CCc1ccc(CC(=O)CC(N)c2ccccc2)nc1.
What is the InChIKey of 4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one?
The InChIKey is CQUUCQHIXPKCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-13-8-9-15(19-12-13)10-16(20)11-17(18)14-6-4-3-5-7-14/h3-9,12,17H,2,10-11,18H2,1H3.
What are the key properties of 4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one?
4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one has a molecular weight of 268.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one is sourced from PubChem (CID 116552960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).