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

C11H16N2O2 — CID 116609044

IUPAC3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one
SMILESCCC(N)CC(=O)c1cncc(OC)c1
InChIInChI=1S/C11H16N2O2/c1-3-9(12)5-11(14)8-4-10(15-2)7-13-6-8/h4,6-7,9H,3,5,12H2,1-2H3
InChIKeyINKNWFQJKLAUSL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.40
Rot. Bonds5

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

3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one (PubChem CID 116609044) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one
PubChem CID116609044
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one
SMILESCCC(N)CC(=O)c1cncc(OC)c1
InChIInChI=1S/C11H16N2O2/c1-3-9(12)5-11(14)8-4-10(15-2)7-13-6-8/h4,6-7,9H,3,5,12H2,1-2H3
InChIKeyINKNWFQJKLAUSL-UHFFFAOYSA-N
XLogP1.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one
CID 116555889
1-(5-methoxy-3-pyridinyl)-3,4,4-trimethylpentan-1-one
CID 115793471
3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
CID 116596399
3-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 81463484
3-amino-1-(3-methoxyphenyl)hexan-1-one
CID 116607861
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
2-methoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116746637
6-(5-methoxy-3-pyridinyl)hex-5-en-3-amine;phosphoric acid
CID 68853876
3-amino-4-methyl-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 116606321

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one?
The IUPAC name of 3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one (CID 116609044) is 3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one.
What is the SMILES notation for 3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one?
The canonical SMILES for 3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one is CCC(N)CC(=O)c1cncc(OC)c1.
What is the InChIKey of 3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one?
The InChIKey is INKNWFQJKLAUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-9(12)5-11(14)8-4-10(15-2)7-13-6-8/h4,6-7,9H,3,5,12H2,1-2H3.
What are the key properties of 3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one?
3-amino-1-(5-methoxy-3-pyridinyl)pentan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.40, 5 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)pentan-1-one is sourced from PubChem (CID 116609044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).