2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone

C19H16N2O — CID 11659269

IUPAC2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone
SMILESCc1ccc(-c2cc(CC(=O)c3ccccn3)ccn2)cc1
InChIInChI=1S/C19H16N2O/c1-14-5-7-16(8-6-14)18-12-15(9-11-21-18)13-19(22)17-4-2-3-10-20-17/h2-12H,13H2,1H3
InChIKeyQGNFYPDDPVEVBU-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.88
Rot. Bonds4

About 2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone

2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone (PubChem CID 11659269) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone
PubChem CID11659269
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone
SMILESCc1ccc(-c2cc(CC(=O)c3ccccn3)ccn2)cc1
InChIInChI=1S/C19H16N2O/c1-14-5-7-16(8-6-14)18-12-15(9-11-21-18)13-19(22)17-4-2-3-10-20-17/h2-12H,13H2,1H3
InChIKeyQGNFYPDDPVEVBU-UHFFFAOYSA-N
XLogP3.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone (CID 11659269) is 2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone is Cc1ccc(-c2cc(CC(=O)c3ccccn3)ccn2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone?
The InChIKey is QGNFYPDDPVEVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-14-5-7-16(8-6-14)18-12-15(9-11-21-18)13-19(22)17-4-2-3-10-20-17/h2-12H,13H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone?
2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone has a molecular weight of 288.35 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-4-pyridinyl]-1-pyridin-2-ylethanone is sourced from PubChem (CID 11659269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).