[4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone

C26H20N2O2 — CID 167295768

IUPAC[4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone
SMILESCc1ccc(C(=O)c2ccc(Cc3ccc(C(=O)c4cccnc4)cc3)cn2)cc1
InChIInChI=1S/C26H20N2O2/c1-18-4-9-22(10-5-18)26(30)24-13-8-20(16-28-24)15-19-6-11-21(12-7-19)25(29)23-3-2-14-27-17-23/h2-14,16-17H,15H2,1H3
InChIKeyJUQAKSPYZGYZBN-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.84
Rot. Bonds6

About [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone

[4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone (PubChem CID 167295768) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone
PubChem CID167295768
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name[4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone
SMILESCc1ccc(C(=O)c2ccc(Cc3ccc(C(=O)c4cccnc4)cc3)cn2)cc1
InChIInChI=1S/C26H20N2O2/c1-18-4-9-22(10-5-18)26(30)24-13-8-20(16-28-24)15-19-6-11-21(12-7-19)25(29)23-3-2-14-27-17-23/h2-14,16-17H,15H2,1H3
InChIKeyJUQAKSPYZGYZBN-UHFFFAOYSA-N
XLogP4.84
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

(5-bromo-2-pyridinyl)-pyridin-3-ylmethanone
CID 86696896
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
[6-(methylamino)-3-pyridinyl]-pyridin-3-ylmethanone
CID 122689009
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
(2-ethoxy-5-methylphenyl)-pyridin-3-ylmethanone
CID 115000096
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-pyridin-3-ylmethanone
CID 23302942
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
ethane;(4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 176552178
ethyl (2S)-2-[4-(pyridine-3-carbonyl)phenyl]propanoate
CID 70637609
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone (CID 167295768) is [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone is Cc1ccc(C(=O)c2ccc(Cc3ccc(C(=O)c4cccnc4)cc3)cn2)cc1.
What is the InChIKey of [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone?
The InChIKey is JUQAKSPYZGYZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-18-4-9-22(10-5-18)26(30)24-13-8-20(16-28-24)15-19-6-11-21(12-7-19)25(29)23-3-2-14-27-17-23/h2-14,16-17H,15H2,1H3.
What are the key properties of [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone?
[4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone has a molecular weight of 392.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(4-methylbenzoyl)-3-pyridinyl]methyl]phenyl]-pyridin-3-ylmethanone is sourced from PubChem (CID 167295768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).