5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one

C16H20N2O2 — CID 43260140

IUPAC5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one
SMILESCc1cc(C)c(C)c(OCCn2cc(N)ccc2=O)c1
InChIInChI=1S/C16H20N2O2/c1-11-8-12(2)13(3)15(9-11)20-7-6-18-10-14(17)4-5-16(18)19/h4-5,8-10H,6-7,17H2,1-3H3
InChIKeyHUHXOHJFANBWBI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.43
Rot. Bonds4

About 5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one

5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one (PubChem CID 43260140) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one
PubChem CID43260140
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one
SMILESCc1cc(C)c(C)c(OCCn2cc(N)ccc2=O)c1
InChIInChI=1S/C16H20N2O2/c1-11-8-12(2)13(3)15(9-11)20-7-6-18-10-14(17)4-5-16(18)19/h4-5,8-10H,6-7,17H2,1-3H3
InChIKeyHUHXOHJFANBWBI-UHFFFAOYSA-N
XLogP2.43
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one (CID 43260140) is 5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one is Cc1cc(C)c(C)c(OCCn2cc(N)ccc2=O)c1.
What is the InChIKey of 5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one?
The InChIKey is HUHXOHJFANBWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-8-12(2)13(3)15(9-11)20-7-6-18-10-14(17)4-5-16(18)19/h4-5,8-10H,6-7,17H2,1-3H3.
What are the key properties of 5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one?
5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2,3,5-trimethylphenoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 43260140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).