3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one

C14H16N2O2 — CID 139946733

IUPAC3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one
SMILESCCn1ccc(-c2ccc(OC)cc2)c(N)c1=O
InChIInChI=1S/C14H16N2O2/c1-3-16-9-8-12(13(15)14(16)17)10-4-6-11(18-2)7-5-10/h4-9H,3,15H2,1-2H3
InChIKeySXAJNGCIFXLEEE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one

3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one (PubChem CID 139946733) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one
PubChem CID139946733
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one
SMILESCCn1ccc(-c2ccc(OC)cc2)c(N)c1=O
InChIInChI=1S/C14H16N2O2/c1-3-16-9-8-12(13(15)14(16)17)10-4-6-11(18-2)7-5-10/h4-9H,3,15H2,1-2H3
InChIKeySXAJNGCIFXLEEE-UHFFFAOYSA-N
XLogP2.13
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one?
The IUPAC name of 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one (CID 139946733) is 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one is CCn1ccc(-c2ccc(OC)cc2)c(N)c1=O.
What is the InChIKey of 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one?
The InChIKey is SXAJNGCIFXLEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-16-9-8-12(13(15)14(16)17)10-4-6-11(18-2)7-5-10/h4-9H,3,15H2,1-2H3.
What are the key properties of 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one?
3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one has a molecular weight of 244.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 139946733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).