1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one

C11H17N3O — CID 158610916

IUPAC1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one
SMILESCC(C(=O)Cc1ccc(N)cn1)N(C)C
InChIInChI=1S/C11H17N3O/c1-8(14(2)3)11(15)6-10-5-4-9(12)7-13-10/h4-5,7-8H,6,12H2,1-3H3
InChIKeyHWVFRQVRNRSZIP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.73
Rot. Bonds4

About 1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one

1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one (PubChem CID 158610916) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one
PubChem CID158610916
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one
SMILESCC(C(=O)Cc1ccc(N)cn1)N(C)C
InChIInChI=1S/C11H17N3O/c1-8(14(2)3)11(15)6-10-5-4-9(12)7-13-10/h4-5,7-8H,6,12H2,1-3H3
InChIKeyHWVFRQVRNRSZIP-UHFFFAOYSA-N
XLogP0.73
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 107339531
2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride
CID 120620159
2-(5-amino-2-pyridinyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 107337980
2-(5-amino-2-pyridinyl)-N,N-diethylacetamide;hydrochloride
CID 120616165
2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 107337947
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
2-(5-amino-2-pyridinyl)-N-(5-hydroxypentan-2-yl)acetamide
CID 107339254
N-(5-amino-2-pyridinyl)-2-(dimethylamino)propanamide
CID 90369688
methyl 3-[[2-(5-amino-2-pyridinyl)acetyl]amino]butanoate
CID 120618929
N-(2-amino-2-oxoethyl)-2-(5-amino-2-pyridinyl)-N-(2-methylpropyl)acetamide
CID 107338053
2-propan-2-yloxyethyl 2-(5-amino-2-pyridinyl)acetate
CID 107339957

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one?
The IUPAC name of 1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one (CID 158610916) is 1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one is CC(C(=O)Cc1ccc(N)cn1)N(C)C.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one?
The InChIKey is HWVFRQVRNRSZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(14(2)3)11(15)6-10-5-4-9(12)7-13-10/h4-5,7-8H,6,12H2,1-3H3.
What are the key properties of 1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one?
1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one is sourced from PubChem (CID 158610916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).