1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one

C17H21FN2O — CID 82421850

IUPAC1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
SMILESCc1cc(=O)c(CNCC(C)C)cn1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c1-12(2)9-19-10-14-11-20(13(3)8-17(14)21)16-6-4-15(18)5-7-16/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyNTNJFLBAPKZURZ-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.03
Rot. Bonds5

About 1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one

1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one (PubChem CID 82421850) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
PubChem CID82421850
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
SMILESCc1cc(=O)c(CNCC(C)C)cn1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c1-12(2)9-19-10-14-11-20(13(3)8-17(14)21)16-6-4-15(18)5-7-16/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyNTNJFLBAPKZURZ-UHFFFAOYSA-N
XLogP3.03
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
CID 82421084
5-(chloromethyl)-1-(4-fluorophenyl)-2-methylpyridin-4-one
CID 82421856
1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one
CID 82421576
2-methyl-5-(methylaminomethyl)-1-(4-methylphenyl)pyridin-4-one
CID 82419104
1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one
CID 82422131
5-(butylaminomethyl)-1-(2,5-difluorophenyl)-2-methylpyridin-4-one
CID 82421579
5-(butylaminomethyl)-1-(3,4-dimethylphenyl)-2-methylpyridin-4-one
CID 82421165
1-(4-ethoxyphenyl)-2-methyl-5-(methylaminomethyl)pyridin-4-one
CID 82420006
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420920
4-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperazine-2,6-dione
CID 66085555
N-[(2,4-difluorophenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405469

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one (CID 82421850) is 1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one is Cc1cc(=O)c(CNCC(C)C)cn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one?
The InChIKey is NTNJFLBAPKZURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12(2)9-19-10-14-11-20(13(3)8-17(14)21)16-6-4-15(18)5-7-16/h4-8,11-12,19H,9-10H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one?
1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one has a molecular weight of 288.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one is sourced from PubChem (CID 82421850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).