1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one

C13H14N2O2 — CID 43111801

IUPAC1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2ccccc2=O)cc1N
InChIInChI=1S/C13H14N2O2/c1-17-12-6-5-10(8-11(12)14)9-15-7-3-2-4-13(15)16/h2-8H,9,14H2,1H3
InChIKeyYIBHMIKSTHSSTM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.49
Rot. Bonds3

About 1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one

1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one (PubChem CID 43111801) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
PubChem CID43111801
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2ccccc2=O)cc1N
InChIInChI=1S/C13H14N2O2/c1-17-12-6-5-10(8-11(12)14)9-15-7-3-2-4-13(15)16/h2-8H,9,14H2,1H3
InChIKeyYIBHMIKSTHSSTM-UHFFFAOYSA-N
XLogP1.49
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridin-2-one
CID 28510606
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402
1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
CID 118907167
4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
CID 82480154
1-[(3-amino-4-methoxyphenyl)methyl]-3H-indol-2-one
CID 29037776
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817
1-[(3-amino-4-methoxyphenyl)methyl]-4-methylpiperidine-2,6-dione
CID 62932933
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
1-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 82897340
1-[2-[4-(hydroxymethyl)-2-methoxyphenoxy]ethyl]pyridin-2-one
CID 78917301
5-[(4-benzylpiperidin-1-yl)methyl]-2-methoxyaniline
CID 39448734

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one (CID 43111801) is 1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one is COc1ccc(Cn2ccccc2=O)cc1N.
What is the InChIKey of 1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one?
The InChIKey is YIBHMIKSTHSSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-12-6-5-10(8-11(12)14)9-15-7-3-2-4-13(15)16/h2-8H,9,14H2,1H3.
What are the key properties of 1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one?
1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 43111801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).