2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one

C17H14N2O — CID 140978203

IUPAC2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one
SMILESO=C1C(Cc2ccccc2)=NC=CC1c1ccccn1
InChIInChI=1S/C17H14N2O/c20-17-14(15-8-4-5-10-18-15)9-11-19-16(17)12-13-6-2-1-3-7-13/h1-11,14H,12H2
InChIKeyGWRAUKSQGRZIGC-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.95
Rot. Bonds3

About 2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one

2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one (PubChem CID 140978203) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one
PubChem CID140978203
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one
SMILESO=C1C(Cc2ccccc2)=NC=CC1c1ccccn1
InChIInChI=1S/C17H14N2O/c20-17-14(15-8-4-5-10-18-15)9-11-19-16(17)12-13-6-2-1-3-7-13/h1-11,14H,12H2
InChIKeyGWRAUKSQGRZIGC-UHFFFAOYSA-N
XLogP2.95
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one?
The IUPAC name of 2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one (CID 140978203) is 2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one.
What is the SMILES notation for 2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one?
The canonical SMILES for 2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one is O=C1C(Cc2ccccc2)=NC=CC1c1ccccn1.
What is the InChIKey of 2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one?
The InChIKey is GWRAUKSQGRZIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-14(15-8-4-5-10-18-15)9-11-19-16(17)12-13-6-2-1-3-7-13/h1-11,14H,12H2.
What are the key properties of 2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one?
2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one has a molecular weight of 262.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one is sourced from PubChem (CID 140978203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).