5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one

C17H22N2O2 — CID 115492319

IUPAC5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one
SMILESCCCCc1ccc(OCCn2cc(N)ccc2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-2-3-4-14-5-8-16(9-6-14)21-12-11-19-13-15(18)7-10-17(19)20/h5-10,13H,2-4,11-12,18H2,1H3
InChIKeyOVIZWCFMBPZFJO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.85
Rot. Bonds7

About 5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one

5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one (PubChem CID 115492319) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one
PubChem CID115492319
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one
SMILESCCCCc1ccc(OCCn2cc(N)ccc2=O)cc1
InChIInChI=1S/C17H22N2O2/c1-2-3-4-14-5-8-16(9-6-14)21-12-11-19-13-15(18)7-10-17(19)20/h5-10,13H,2-4,11-12,18H2,1H3
InChIKeyOVIZWCFMBPZFJO-UHFFFAOYSA-N
XLogP2.85
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-[2-(4-methylsulfonylphenoxy)ethyl]pyridin-2-one
CID 43806876
1-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
CID 43365768
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
5-amino-1-[3-(4-bromo-3-methylphenoxy)propyl]pyridin-2-one
CID 83133851
pentyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 62814988
5-amino-1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]pyridin-2-one
CID 64601750
1-butyl-4-(4-chlorobutoxy)benzene
CID 115492522
3-[2-[4-(2-aminoethyl)phenoxy]ethyl]pyrimidin-4-one
CID 55235489
4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
CID 114608509
1-hexoxy-4-pentylbenzene
CID 54277450

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one (CID 115492319) is 5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one is CCCCc1ccc(OCCn2cc(N)ccc2=O)cc1.
What is the InChIKey of 5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one?
The InChIKey is OVIZWCFMBPZFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-3-4-14-5-8-16(9-6-14)21-12-11-19-13-15(18)7-10-17(19)20/h5-10,13H,2-4,11-12,18H2,1H3.
What are the key properties of 5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one?
5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(4-butylphenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 115492319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).