5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one

C13H14N2O — CID 170269892

IUPAC5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(CN)cc2)ccc1=O
InChIInChI=1S/C13H14N2O/c1-15-9-12(6-7-13(15)16)11-4-2-10(8-14)3-5-11/h2-7,9H,8,14H2,1H3
InChIKeyPOWYWXSRGDBFPL-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.51
Rot. Bonds2

About 5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one

5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one (PubChem CID 170269892) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one
PubChem CID170269892
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(CN)cc2)ccc1=O
InChIInChI=1S/C13H14N2O/c1-15-9-12(6-7-13(15)16)11-4-2-10(8-14)3-5-11/h2-7,9H,8,14H2,1H3
InChIKeyPOWYWXSRGDBFPL-UHFFFAOYSA-N
XLogP1.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-1-methylpyridin-2-one;hydrochloride
CID 117273827
3-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 167913473
5-(methoxymethyl)-1-methylpyridin-2-one
CID 90746117
5-[4-(2,5-diazabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]-1-methylpyridin-2-one;ethane
CID 145148277
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
[4-(4-ethylphenyl)-1-methylpyrrol-2-yl]methanamine
CID 117001477
1-(3-aminopropyl)-5-(4-methylphenyl)pyridin-2-one
CID 82117734
ethyl 2-(1-methyl-6-oxo-3-pyridinyl)acetate
CID 131699985
1-(2-aminoethyl)-5-phenylpyridin-2-one
CID 82113594
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030
1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one
CID 82032049
[4-(1-methyltetrazol-5-yl)phenyl]methanamine
CID 82228462

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one (CID 170269892) is 5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one is Cn1cc(-c2ccc(CN)cc2)ccc1=O.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one?
The InChIKey is POWYWXSRGDBFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-15-9-12(6-7-13(15)16)11-4-2-10(8-14)3-5-11/h2-7,9H,8,14H2,1H3.
What are the key properties of 5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one?
5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 170269892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).