5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one

C17H21FN2O — CID 114829289

IUPAC5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC(C)Cc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C17H21FN2O/c1-3-10-20-12-16(8-9-17(20)21)19-13(2)11-14-4-6-15(18)7-5-14/h4-9,12-13,19H,3,10-11H2,1-2H3
InChIKeyKQRIHMROPLNJIY-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.44
Rot. Bonds6

About 5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one

5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one (PubChem CID 114829289) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one
PubChem CID114829289
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC(C)Cc2ccc(F)cc2)ccc1=O
InChIInChI=1S/C17H21FN2O/c1-3-10-20-12-16(8-9-17(20)21)19-13(2)11-14-4-6-15(18)7-5-14/h4-9,12-13,19H,3,10-11H2,1-2H3
InChIKeyKQRIHMROPLNJIY-UHFFFAOYSA-N
XLogP3.44
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one
CID 54863912
5-[1-(5-bromo-2-fluorophenyl)ethylamino]-1-propylpyridin-2-one
CID 82963864
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
CID 115922678
N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxyaniline
CID 115916812
6-[1-(4-fluorophenyl)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60966380
4-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60943308
5-[1-(2,4-dimethylphenyl)ethylamino]-1-propylpyridin-2-one
CID 60943688
5-[1-(4-hydroxyphenyl)propylamino]-1-propylpyridin-2-one
CID 60943818
3-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830588
5-[1-(2,5-difluorophenyl)ethylamino]-1-ethylpyridin-2-one
CID 60942405
2-fluoro-4-[1-(4-fluorophenyl)propan-2-ylamino]benzoic acid
CID 115485422
3-[1-[(6-oxo-1-propyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 60942687

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one?
The IUPAC name of 5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one (CID 114829289) is 5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one is CCCn1cc(NC(C)Cc2ccc(F)cc2)ccc1=O.
What is the InChIKey of 5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one?
The InChIKey is KQRIHMROPLNJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-3-10-20-12-16(8-9-17(20)21)19-13(2)11-14-4-6-15(18)7-5-14/h4-9,12-13,19H,3,10-11H2,1-2H3.
What are the key properties of 5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one?
5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one has a molecular weight of 288.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one is sourced from PubChem (CID 114829289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).