1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one

C14H23N3O — CID 79063685

IUPAC1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cnccc1N
InChIInChI=1S/C14H23N3O/c1-5-14(4,17(6-2)7-3)13(18)11-10-16-9-8-12(11)15/h8-10H,5-7H2,1-4H3,(H2,15,16)
InChIKeyJNNCMTOYTDOAJC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.36
Rot. Bonds6

About 1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one

1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one (PubChem CID 79063685) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
PubChem CID79063685
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cnccc1N
InChIInChI=1S/C14H23N3O/c1-5-14(4,17(6-2)7-3)13(18)11-10-16-9-8-12(11)15/h8-10H,5-7H2,1-4H3,(H2,15,16)
InChIKeyJNNCMTOYTDOAJC-UHFFFAOYSA-N
XLogP2.36
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one
CID 103143332
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-2-methylbutan-1-one
CID 116610776
2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one
CID 116556928
2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592894
1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
CID 116747229
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one
CID 79063034
1-(4-amino-3-pyridinyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 79068133
4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464710
1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one
CID 79051639
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-one
CID 81196407
2-hydroxy-2-methyl-1-(4-methyl-3-pyridinyl)butan-1-one
CID 103446599
2-(diethylamino)-2-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
CID 103130447

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one (CID 79063685) is 1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one is CCN(CC)C(C)(CC)C(=O)c1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one?
The InChIKey is JNNCMTOYTDOAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-14(4,17(6-2)7-3)13(18)11-10-16-9-8-12(11)15/h8-10H,5-7H2,1-4H3,(H2,15,16).
What are the key properties of 1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one?
1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one has a molecular weight of 249.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one is sourced from PubChem (CID 79063685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).