3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one

C14H16N2O — CID 152765421

IUPAC3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one
SMILESCc1c(C(C)c2ccccc2)c[nH]c(=O)c1N
InChIInChI=1S/C14H16N2O/c1-9(11-6-4-3-5-7-11)12-8-16-14(17)13(15)10(12)2/h3-9H,15H2,1-2H3,(H,16,17)
InChIKeyOATOYLCAUSRHLF-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.42
Rot. Bonds2

About 3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one

3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one (PubChem CID 152765421) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one
PubChem CID152765421
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one
SMILESCc1c(C(C)c2ccccc2)c[nH]c(=O)c1N
InChIInChI=1S/C14H16N2O/c1-9(11-6-4-3-5-7-11)12-8-16-14(17)13(15)10(12)2/h3-9H,15H2,1-2H3,(H,16,17)
InChIKeyOATOYLCAUSRHLF-UHFFFAOYSA-N
XLogP2.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one (CID 152765421) is 3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one is Cc1c(C(C)c2ccccc2)c[nH]c(=O)c1N.
What is the InChIKey of 3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one?
The InChIKey is OATOYLCAUSRHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9(11-6-4-3-5-7-11)12-8-16-14(17)13(15)10(12)2/h3-9H,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one?
3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-5-(1-phenylethyl)-1H-pyridin-2-one is sourced from PubChem (CID 152765421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).