bis[2-(4-methylphenyl)-3-pyridinyl]methanone

C25H20N2O — CID 67746009

IUPACbis[2-(4-methylphenyl)-3-pyridinyl]methanone
SMILESCc1ccc(-c2ncccc2C(=O)c2cccnc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H20N2O/c1-17-7-11-19(12-8-17)23-21(5-3-15-26-23)25(28)22-6-4-16-27-24(22)20-13-9-18(2)10-14-20/h3-16H,1-2H3
InChIKeyBIZSNZGELQBTTN-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.66
Rot. Bonds4

About bis[2-(4-methylphenyl)-3-pyridinyl]methanone

bis[2-(4-methylphenyl)-3-pyridinyl]methanone (PubChem CID 67746009) has the molecular formula C25H20N2O and a molecular weight of 364.45 g/mol. Its IUPAC name is bis[2-(4-methylphenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Namebis[2-(4-methylphenyl)-3-pyridinyl]methanone
PubChem CID67746009
Molecular FormulaC25H20N2O
Molecular Weight364.45 g/mol
Exact Mass364.16
IUPAC Namebis[2-(4-methylphenyl)-3-pyridinyl]methanone
SMILESCc1ccc(-c2ncccc2C(=O)c2cccnc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H20N2O/c1-17-7-11-19(12-8-17)23-21(5-3-15-26-23)25(28)22-6-4-16-27-24(22)20-13-9-18(2)10-14-20/h3-16H,1-2H3
InChIKeyBIZSNZGELQBTTN-UHFFFAOYSA-N
XLogP5.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide
CID 67746022
1-(2-pyridin-4-yl-3-pyridinyl)ethanone
CID 155731304
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
N-methyl-2-phenylpyridine-3-carboxamide
CID 123139602
2-(4-chlorophenyl)pyridine-3-carboxamide
CID 140983292
2-(4-propan-2-yloxyphenyl)pyridine-3-carboxylic acid
CID 82089202
N-oxo-2-phenylpyridine-3-carboxamide
CID 87566165
methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
CID 170705123
N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine
CID 142575037
methyl 3-(4-methylbenzoyl)pyridine-2-carboxylate
CID 19700964
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
CID 86185812

Frequently Asked Questions

What is the IUPAC name of bis[2-(4-methylphenyl)-3-pyridinyl]methanone?
The IUPAC name of bis[2-(4-methylphenyl)-3-pyridinyl]methanone (CID 67746009) is bis[2-(4-methylphenyl)-3-pyridinyl]methanone.
What is the SMILES notation for bis[2-(4-methylphenyl)-3-pyridinyl]methanone?
The canonical SMILES for bis[2-(4-methylphenyl)-3-pyridinyl]methanone is Cc1ccc(-c2ncccc2C(=O)c2cccnc2-c2ccc(C)cc2)cc1.
What is the InChIKey of bis[2-(4-methylphenyl)-3-pyridinyl]methanone?
The InChIKey is BIZSNZGELQBTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O/c1-17-7-11-19(12-8-17)23-21(5-3-15-26-23)25(28)22-6-4-16-27-24(22)20-13-9-18(2)10-14-20/h3-16H,1-2H3.
What are the key properties of bis[2-(4-methylphenyl)-3-pyridinyl]methanone?
bis[2-(4-methylphenyl)-3-pyridinyl]methanone has a molecular weight of 364.45 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(4-methylphenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 67746009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).