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

C12H12N2O — CID 82076397

IUPAC3-amino-5-(4-methylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2c[nH]c(=O)c(N)c2)cc1
InChIInChI=1S/C12H12N2O/c1-8-2-4-9(5-3-8)10-6-11(13)12(15)14-7-10/h2-7H,13H2,1H3,(H,14,15)
InChIKeyGTSDRILENIDLLE-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.93
Rot. Bonds1

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

3-amino-5-(4-methylphenyl)-1H-pyridin-2-one (PubChem CID 82076397) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-amino-5-(4-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(4-methylphenyl)-1H-pyridin-2-one
PubChem CID82076397
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-amino-5-(4-methylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2c[nH]c(=O)c(N)c2)cc1
InChIInChI=1S/C12H12N2O/c1-8-2-4-9(5-3-8)10-6-11(13)12(15)14-7-10/h2-7H,13H2,1H3,(H,14,15)
InChIKeyGTSDRILENIDLLE-UHFFFAOYSA-N
XLogP1.93
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-pyridin-4-yl-1H-pyridin-2-one;5-pyridin-4-ylpyridin-3-amine
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3,5-diamino-6-(4-methylphenyl)-1H-pyridin-2-one
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3-amino-5-(2-fluorophenyl)-1H-pyridin-2-one
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3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one
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3-amino-5-propan-2-yl-1H-pyridin-2-one
CID 105429770
3-amino-5-pyrazin-2-yl-1H-pyridin-2-one
CID 13456642
5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine
CID 163545933
2-methyl-4-(4-methylphenyl)aniline
CID 23005184
3-amino-5-phthalazin-1-yl-1H-pyridin-2-one
CID 57217859
3-amino-5-fluoro-1H-pyridin-2-one;ethanol
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CID 62475744

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-(4-methylphenyl)-1H-pyridin-2-one (CID 82076397) is 3-amino-5-(4-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-(4-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-(4-methylphenyl)-1H-pyridin-2-one is Cc1ccc(-c2c[nH]c(=O)c(N)c2)cc1.
What is the InChIKey of 3-amino-5-(4-methylphenyl)-1H-pyridin-2-one?
The InChIKey is GTSDRILENIDLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-2-4-9(5-3-8)10-6-11(13)12(15)14-7-10/h2-7H,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-5-(4-methylphenyl)-1H-pyridin-2-one?
3-amino-5-(4-methylphenyl)-1H-pyridin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 82076397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).