[4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate

C20H15NO4 — CID 90424397

IUPAC[4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate
SMILESCc1c(-c2ccc(C(=O)c3ccccc3)cc2)ccnc1OC(=O)O
InChIInChI=1S/C20H15NO4/c1-13-17(11-12-21-19(13)25-20(23)24)14-7-9-16(10-8-14)18(22)15-5-3-2-4-6-15/h2-12H,1H3,(H,23,24)
InChIKeyAFYXJFREKODKJZ-UHFFFAOYSA-N
MW333.34 g/mol
LogP4.34
Rot. Bonds4

About [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate

[4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate (PubChem CID 90424397) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate
PubChem CID90424397
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name[4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate
SMILESCc1c(-c2ccc(C(=O)c3ccccc3)cc2)ccnc1OC(=O)O
InChIInChI=1S/C20H15NO4/c1-13-17(11-12-21-19(13)25-20(23)24)14-7-9-16(10-8-14)18(22)15-5-3-2-4-6-15/h2-12H,1H3,(H,23,24)
InChIKeyAFYXJFREKODKJZ-UHFFFAOYSA-N
XLogP4.34
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate (CID 90424397) is [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate is Cc1c(-c2ccc(C(=O)c3ccccc3)cc2)ccnc1OC(=O)O.
What is the InChIKey of [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate?
The InChIKey is AFYXJFREKODKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c1-13-17(11-12-21-19(13)25-20(23)24)14-7-9-16(10-8-14)18(22)15-5-3-2-4-6-15/h2-12H,1H3,(H,23,24).
What are the key properties of [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate?
[4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate has a molecular weight of 333.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzoylphenyl)-3-methyl-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 90424397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).