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

C13H13FN2O2 — CID 82480154

IUPAC4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2ccc(N)cc2=O)cc1F
InChIInChI=1S/C13H13FN2O2/c1-18-12-3-2-9(6-11(12)14)8-16-5-4-10(15)7-13(16)17/h2-7H,8,15H2,1H3
InChIKeyCFNQTDAJIRBUGM-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.63
Rot. Bonds3

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

4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one (PubChem CID 82480154) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
PubChem CID82480154
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2ccc(N)cc2=O)cc1F
InChIInChI=1S/C13H13FN2O2/c1-18-12-3-2-9(6-11(12)14)8-16-5-4-10(15)7-13(16)17/h2-7H,8,15H2,1H3
InChIKeyCFNQTDAJIRBUGM-UHFFFAOYSA-N
XLogP1.63
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 113232235
1-[(3-fluoro-4-methoxyphenyl)methyl]indol-6-amine
CID 43308823
1-[(3-fluoro-4-methoxyphenyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017879
1-[(3-amino-4-methoxyphenyl)methyl]pyridin-2-one
CID 43111801
ethyl 1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrole-2-carboxylate
CID 105422122
4,6-dichloro-1-[(3-fluoro-4-methoxyphenyl)methyl]indole
CID 103428306
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
CID 95917526
6-chloro-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-iodopyrimidin-4-one
CID 114584029
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901962
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one (CID 82480154) is 4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one is COc1ccc(Cn2ccc(N)cc2=O)cc1F.
What is the InChIKey of 4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one?
The InChIKey is CFNQTDAJIRBUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-18-12-3-2-9(6-11(12)14)8-16-5-4-10(15)7-13(16)17/h2-7H,8,15H2,1H3.
What are the key properties of 4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one?
4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one has a molecular weight of 248.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3-fluoro-4-methoxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 82480154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).