3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one

C19H16Cl2N2O — CID 1484516

IUPAC3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one
SMILESCc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1cccnc1
InChIInChI=1S/C19H16Cl2N2O/c1-13-15(10-16-17(20)5-2-6-18(16)21)19(24)7-9-23(13)12-14-4-3-8-22-11-14/h2-9,11H,10,12H2,1H3
InChIKeyCMUNPOZSXKDKCO-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.50
Rot. Bonds4

About 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one

3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one (PubChem CID 1484516) has the molecular formula C19H16Cl2N2O and a molecular weight of 359.26 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one
PubChem CID1484516
Molecular FormulaC19H16Cl2N2O
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one
SMILESCc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1cccnc1
InChIInChI=1S/C19H16Cl2N2O/c1-13-15(10-16-17(20)5-2-6-18(16)21)19(24)7-9-23(13)12-14-4-3-8-22-11-14/h2-9,11H,10,12H2,1H3
InChIKeyCMUNPOZSXKDKCO-UHFFFAOYSA-N
XLogP4.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-hydroxy-1-(pyridin-3-ylmethyl)pyridin-4-one
CID 45095780
8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725529
1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
3-hydroxy-2-methyl-1-[(4-methylphenyl)methyl]pyridin-4-one
CID 10561391
5-methyl-1-(pyridin-3-ylmethyl)indole
CID 116622934
3-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563593
5-bromo-6-methyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one
CID 66308769
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563639
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
(2,3-dichlorophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19574158

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one (CID 1484516) is 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one is Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1cccnc1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one?
The InChIKey is CMUNPOZSXKDKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O/c1-13-15(10-16-17(20)5-2-6-18(16)21)19(24)7-9-23(13)12-14-4-3-8-22-11-14/h2-9,11H,10,12H2,1H3.
What are the key properties of 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one?
3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one has a molecular weight of 359.26 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methyl]-2-methyl-1-(pyridin-3-ylmethyl)pyridin-4-one is sourced from PubChem (CID 1484516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).