3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one

C10H14N2O2 — CID 116555889

IUPAC3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one
SMILESCOc1cncc(C(=O)CC(C)N)c1
InChIInChI=1S/C10H14N2O2/c1-7(11)3-10(13)8-4-9(14-2)6-12-5-8/h4-7H,3,11H2,1-2H3
InChIKeyHVQGSVFZZKTUFW-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.01
Rot. Bonds4

About 3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one

3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one (PubChem CID 116555889) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one
PubChem CID116555889
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one
SMILESCOc1cncc(C(=O)CC(C)N)c1
InChIInChI=1S/C10H14N2O2/c1-7(11)3-10(13)8-4-9(14-2)6-12-5-8/h4-7H,3,11H2,1-2H3
InChIKeyHVQGSVFZZKTUFW-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one
CID 116609044
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethylpentan-1-one
CID 115793471
3-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116606321
3-amino-1-(2,4,6-trimethoxyphenyl)butan-1-one
CID 116915625
1-(5-methoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
CID 115793396
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
3-(tert-butylamino)-1-(5-methoxy-3-pyridinyl)propan-1-one
CID 116557911
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
CID 116576579
1-(5-methoxy-3-pyridinyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 170861337
3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
CID 116596399
3-amino-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116555955

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one?
The IUPAC name of 3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one (CID 116555889) is 3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one.
What is the SMILES notation for 3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one?
The canonical SMILES for 3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one is COc1cncc(C(=O)CC(C)N)c1.
What is the InChIKey of 3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one?
The InChIKey is HVQGSVFZZKTUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(11)3-10(13)8-4-9(14-2)6-12-5-8/h4-7H,3,11H2,1-2H3.
What are the key properties of 3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one?
3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one is sourced from PubChem (CID 116555889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).