1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone

C14H12F2N2O — CID 64558684

IUPAC1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone
SMILESCc1cnc(N)c(C(=O)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C14H12F2N2O/c1-8-4-11(14(17)18-7-8)13(19)5-9-2-3-10(15)6-12(9)16/h2-4,6-7H,5H2,1H3,(H2,17,18)
InChIKeyOUAXWWHGXIACHS-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.68
Rot. Bonds3

About 1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone

1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone (PubChem CID 64558684) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone
PubChem CID64558684
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone
SMILESCc1cnc(N)c(C(=O)Cc2ccc(F)cc2F)c1
InChIInChI=1S/C14H12F2N2O/c1-8-4-11(14(17)18-7-8)13(19)5-9-2-3-10(15)6-12(9)16/h2-4,6-7H,5H2,1H3,(H2,17,18)
InChIKeyOUAXWWHGXIACHS-UHFFFAOYSA-N
XLogP2.68
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanone
CID 79705234
2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone
CID 116591054
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone
CID 65130731
2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
CID 113365493
4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116596708
1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone
CID 116555449
2-(4-bromo-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81274189
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303
4-amino-N-[(2,4-difluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 81239765
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116574050
1-(2-bromo-3,4-difluorophenyl)-2-(2,4-difluorophenyl)ethanone
CID 107538119

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone?
The IUPAC name of 1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone (CID 64558684) is 1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone is Cc1cnc(N)c(C(=O)Cc2ccc(F)cc2F)c1.
What is the InChIKey of 1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone?
The InChIKey is OUAXWWHGXIACHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8-4-11(14(17)18-7-8)13(19)5-9-2-3-10(15)6-12(9)16/h2-4,6-7H,5H2,1H3,(H2,17,18).
What are the key properties of 1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone?
1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone has a molecular weight of 262.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone is sourced from PubChem (CID 64558684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).