5-(anilinomethyl)-1-phenylpyridin-2-one

C18H16N2O — CID 56848064

IUPAC5-(anilinomethyl)-1-phenylpyridin-2-one
SMILESO=c1ccc(CNc2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C18H16N2O/c21-18-12-11-15(13-19-16-7-3-1-4-8-16)14-20(18)17-9-5-2-6-10-17/h1-12,14,19H,13H2
InChIKeyHTYDVLMBXRMIAT-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.45
Rot. Bonds4

About 5-(anilinomethyl)-1-phenylpyridin-2-one

5-(anilinomethyl)-1-phenylpyridin-2-one (PubChem CID 56848064) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(anilinomethyl)-1-phenylpyridin-2-one.

Molecular Properties

Compound Name5-(anilinomethyl)-1-phenylpyridin-2-one
PubChem CID56848064
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name5-(anilinomethyl)-1-phenylpyridin-2-one
SMILESO=c1ccc(CNc2ccccc2)cn1-c1ccccc1
InChIInChI=1S/C18H16N2O/c21-18-12-11-15(13-19-16-7-3-1-4-8-16)14-20(18)17-9-5-2-6-10-17/h1-12,14,19H,13H2
InChIKeyHTYDVLMBXRMIAT-UHFFFAOYSA-N
XLogP3.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(anilinomethyl)-1-phenylpyridin-2-one?
The IUPAC name of 5-(anilinomethyl)-1-phenylpyridin-2-one (CID 56848064) is 5-(anilinomethyl)-1-phenylpyridin-2-one.
What is the SMILES notation for 5-(anilinomethyl)-1-phenylpyridin-2-one?
The canonical SMILES for 5-(anilinomethyl)-1-phenylpyridin-2-one is O=c1ccc(CNc2ccccc2)cn1-c1ccccc1.
What is the InChIKey of 5-(anilinomethyl)-1-phenylpyridin-2-one?
The InChIKey is HTYDVLMBXRMIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c21-18-12-11-15(13-19-16-7-3-1-4-8-16)14-20(18)17-9-5-2-6-10-17/h1-12,14,19H,13H2.
What are the key properties of 5-(anilinomethyl)-1-phenylpyridin-2-one?
5-(anilinomethyl)-1-phenylpyridin-2-one has a molecular weight of 276.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anilinomethyl)-1-phenylpyridin-2-one is sourced from PubChem (CID 56848064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).