4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide

C20H19N3OS — CID 78792775

IUPAC4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCSc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1
InChIInChI=1S/C20H19N3OS/c1-25-19-6-4-18(5-7-19)20(24)23(14-16-8-11-21-12-9-16)15-17-3-2-10-22-13-17/h2-13H,14-15H2,1H3
InChIKeyBTOWFGSTQBPPKA-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.04
Rot. Bonds6

About 4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide

4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 78792775) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID78792775
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESCSc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1
InChIInChI=1S/C20H19N3OS/c1-25-19-6-4-18(5-7-19)20(24)23(14-16-8-11-21-12-9-16)15-17-3-2-10-22-13-17/h2-13H,14-15H2,1H3
InChIKeyBTOWFGSTQBPPKA-UHFFFAOYSA-N
XLogP4.04
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578
1-tert-butyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 56789484
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 56789485
N-benzyl-N-[(4-methylsulfanylphenyl)methyl]quinoxaline-6-carboxamide
CID 23654612
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
2-bromo-5-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78816281
2-bromo-4-fluoro-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78811624
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78811639
2-methyl-3-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-4H-1,4-benzothiazine-6-carboxamide
CID 78792656
N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 78792765
3-[(4-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoic acid
CID 82324870

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide (CID 78792775) is 4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide is CSc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is BTOWFGSTQBPPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-25-19-6-4-18(5-7-19)20(24)23(14-16-8-11-21-12-9-16)15-17-3-2-10-22-13-17/h2-13H,14-15H2,1H3.
What are the key properties of 4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide?
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 349.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 78792775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).