1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one

C19H17FN2O — CID 56848015

IUPAC1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one
SMILESCc1ccc(NCc2ccc(=O)n(-c3cccc(F)c3)c2)cc1
InChIInChI=1S/C19H17FN2O/c1-14-5-8-17(9-6-14)21-12-15-7-10-19(23)22(13-15)18-4-2-3-16(20)11-18/h2-11,13,21H,12H2,1H3
InChIKeyQUNWTRLLGABCTJ-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.90
Rot. Bonds4

About 1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one

1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one (PubChem CID 56848015) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one
PubChem CID56848015
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one
SMILESCc1ccc(NCc2ccc(=O)n(-c3cccc(F)c3)c2)cc1
InChIInChI=1S/C19H17FN2O/c1-14-5-8-17(9-6-14)21-12-15-7-10-19(23)22(13-15)18-4-2-3-16(20)11-18/h2-11,13,21H,12H2,1H3
InChIKeyQUNWTRLLGABCTJ-UHFFFAOYSA-N
XLogP3.90
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one (CID 56848015) is 1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one is Cc1ccc(NCc2ccc(=O)n(-c3cccc(F)c3)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one?
The InChIKey is QUNWTRLLGABCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-14-5-8-17(9-6-14)21-12-15-7-10-19(23)22(13-15)18-4-2-3-16(20)11-18/h2-11,13,21H,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one?
1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one has a molecular weight of 308.36 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-[(4-methylanilino)methyl]pyridin-2-one is sourced from PubChem (CID 56848015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).