1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one

C10H14N2O2 — CID 79617121

IUPAC1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
SMILESCOC(C)C(=O)Cc1cnccc1N
InChIInChI=1S/C10H14N2O2/c1-7(14-2)10(13)5-8-6-12-4-3-9(8)11/h3-4,6-7H,5H2,1-2H3,(H2,11,12)
InChIKeyQKTVRWKIROYWPS-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.81
Rot. Bonds4

About 1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one

1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one (PubChem CID 79617121) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
PubChem CID79617121
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
SMILESCOC(C)C(=O)Cc1cnccc1N
InChIInChI=1S/C10H14N2O2/c1-7(14-2)10(13)5-8-6-12-4-3-9(8)11/h3-4,6-7H,5H2,1-2H3,(H2,11,12)
InChIKeyQKTVRWKIROYWPS-UHFFFAOYSA-N
XLogP0.81
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-3-pyridinyl)-1-ethoxy-1-phenylpropan-2-one
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1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
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1-(4-amino-3-pyridinyl)-3-methoxy-3-methylpentan-2-one
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1-(4-amino-3-pyridinyl)-4-(2-methoxyethoxy)butan-2-one
CID 102927478
1-(4-amino-3-pyridinyl)-3-ethoxy-3-methylpentan-2-one
CID 116747071
3-(2-hydrazinyl-3-methoxypentyl)pyridin-4-amine
CID 105270886
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(4-amino-3-pyridinyl)ethanone
CID 116585729
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504
3-(2-hydrazinyl-3-methylbutyl)pyridin-4-amine
CID 105199730
3-(4-amino-3-pyridinyl)-1-methoxy-1-phenylpropan-2-ol
CID 116756787
3-(4-amino-3-pyridinyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712449
1-(4-amino-3-pyridinyl)-3-(propylamino)propan-2-one
CID 116562799

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one?
The IUPAC name of 1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one (CID 79617121) is 1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one is COC(C)C(=O)Cc1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one?
The InChIKey is QKTVRWKIROYWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(14-2)10(13)5-8-6-12-4-3-9(8)11/h3-4,6-7H,5H2,1-2H3,(H2,11,12).
What are the key properties of 1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one?
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.81, 4 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)-3-methoxybutan-2-one is sourced from PubChem (CID 79617121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).