1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one

C16H18F2N2O — CID 82421576

IUPAC1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one
SMILESCc1cc(=O)c(CNC(C)C)cn1-c1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2O/c1-10(2)19-8-12-9-20(11(3)6-16(12)21)15-7-13(17)4-5-14(15)18/h4-7,9-10,19H,8H2,1-3H3
InChIKeyVXOKBGHSRXNELN-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.92
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one

1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one (PubChem CID 82421576) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one
PubChem CID82421576
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one
SMILESCc1cc(=O)c(CNC(C)C)cn1-c1cc(F)ccc1F
InChIInChI=1S/C16H18F2N2O/c1-10(2)19-8-12-9-20(11(3)6-16(12)21)15-7-13(17)4-5-14(15)18/h4-7,9-10,19H,8H2,1-3H3
InChIKeyVXOKBGHSRXNELN-UHFFFAOYSA-N
XLogP2.92
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(butylaminomethyl)-1-(2,5-difluorophenyl)-2-methylpyridin-4-one
CID 82421579
1-(4-fluorophenyl)-2-methyl-5-[(2-methylpropylamino)methyl]pyridin-4-one
CID 82421850
5-(chloromethyl)-1-(4-fluorophenyl)-2-methylpyridin-4-one
CID 82421856
1-(2,5-difluorophenyl)-5-methylpyridin-2-one
CID 11956884
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
2-[6-methyl-4-oxo-1-(2,3,4-trifluorophenyl)-3-pyridinyl]acetonitrile
CID 82420869
N-[[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 54910009
1-(3,4-difluorophenyl)-5-(hydroxymethyl)-2-methylpyridin-4-one
CID 82420920
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62489855
1-(4-chlorophenyl)-2-methyl-5-(propylaminomethyl)pyridin-4-one
CID 82422131
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
1-(2,4-difluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 82421494

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one?
The IUPAC name of 1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one (CID 82421576) is 1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one is Cc1cc(=O)c(CNC(C)C)cn1-c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one?
The InChIKey is VXOKBGHSRXNELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-10(2)19-8-12-9-20(11(3)6-16(12)21)15-7-13(17)4-5-14(15)18/h4-7,9-10,19H,8H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one?
1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one has a molecular weight of 292.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-methyl-5-[(propan-2-ylamino)methyl]pyridin-4-one is sourced from PubChem (CID 82421576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).