(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone

C21H17NO2 — CID 827958

IUPAC(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
SMILESCc1nc(C)c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C21H17NO2/c1-14-18(20(23)16-9-5-3-6-10-16)13-19(15(2)22-14)21(24)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyADHDLDUKQXDATR-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.16
Rot. Bonds4

About (5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone

(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone (PubChem CID 827958) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is (5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
PubChem CID827958
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
SMILESCc1nc(C)c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C21H17NO2/c1-14-18(20(23)16-9-5-3-6-10-16)13-19(15(2)22-14)21(24)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyADHDLDUKQXDATR-UHFFFAOYSA-N
XLogP4.16
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid
CID 23586588
2-benzoyl-5-(4-methylbenzoyl)terephthalic acid
CID 23586512
(2,5-dimethyl-4-pyridinyl)-phenylmethanone
CID 12954070
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
1-(4-benzoyl-6-methylpyrimidin-2-yl)ethanone
CID 15186733
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
anthracene;diphenylmethanone
CID 87408663
(2-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanone
CID 102546248
2,5,6-tribenzoylpyridine-3-carboxamide
CID 141443118
(2-iodo-4-methylphenyl)-phenylmethanone
CID 170986222
diphenylmethanone;gold
CID 174931146

Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone?
The IUPAC name of (5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone (CID 827958) is (5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone.
What is the SMILES notation for (5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone?
The canonical SMILES for (5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone is Cc1nc(C)c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1.
What is the InChIKey of (5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone?
The InChIKey is ADHDLDUKQXDATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-14-18(20(23)16-9-5-3-6-10-16)13-19(15(2)22-14)21(24)17-11-7-4-8-12-17/h3-13H,1-2H3.
What are the key properties of (5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone?
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone has a molecular weight of 315.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone is sourced from PubChem (CID 827958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).