3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one

C15H17FN2O — CID 82519561

IUPAC3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(F)cc2)ccc(CN)c1=O
InChIInChI=1S/C15H17FN2O/c1-2-9-18-14(8-5-12(10-17)15(18)19)11-3-6-13(16)7-4-11/h3-8H,2,9-10,17H2,1H3
InChIKeyWNRDNMWXRRKYGB-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.52
Rot. Bonds4

About 3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one

3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one (PubChem CID 82519561) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
PubChem CID82519561
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
SMILESCCCn1c(-c2ccc(F)cc2)ccc(CN)c1=O
InChIInChI=1S/C15H17FN2O/c1-2-9-18-14(8-5-12(10-17)15(18)19)11-3-6-13(16)7-4-11/h3-8H,2,9-10,17H2,1H3
InChIKeyWNRDNMWXRRKYGB-UHFFFAOYSA-N
XLogP2.52
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519555
1-butyl-3-(chloromethyl)-6-(4-fluorophenyl)pyridin-2-one
CID 82519520
6-(4-fluorophenyl)-2-oxo-1-propylpyridine-3-carbonitrile
CID 82099180
3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one
CID 82519188
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520594
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one
CID 82189452
1-butyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbonitrile
CID 82099181
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
CID 82519501
3-(aminomethyl)-6-(3-methoxyphenyl)-1-pentylpyridin-2-one
CID 82518457

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one (CID 82519561) is 3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one is CCCn1c(-c2ccc(F)cc2)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one?
The InChIKey is WNRDNMWXRRKYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-9-18-14(8-5-12(10-17)15(18)19)11-3-6-13(16)7-4-11/h3-8H,2,9-10,17H2,1H3.
What are the key properties of 3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one?
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one has a molecular weight of 260.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one is sourced from PubChem (CID 82519561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).