3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide

C22H25N5OS — CID 78811639

IUPAC3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCSc1nc(C)c(CCC(=O)N(Cc2ccncc2)Cc2cccnc2)c(C)n1
InChIInChI=1S/C22H25N5OS/c1-16-20(17(2)26-22(25-16)29-3)6-7-21(28)27(14-18-8-11-23-12-9-18)15-19-5-4-10-24-13-19/h4-5,8-13H,6-7,14-15H2,1-3H3
InChIKeyYAEDDWOMSJPKTQ-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.77
Rot. Bonds8

About 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide

3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 78811639) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID78811639
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCSc1nc(C)c(CCC(=O)N(Cc2ccncc2)Cc2cccnc2)c(C)n1
InChIInChI=1S/C22H25N5OS/c1-16-20(17(2)26-22(25-16)29-3)6-7-21(28)27(14-18-8-11-23-12-9-18)15-19-5-4-10-24-13-19/h4-5,8-13H,6-7,14-15H2,1-3H3
InChIKeyYAEDDWOMSJPKTQ-UHFFFAOYSA-N
XLogP3.77
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56789486
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78835277
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 46692783
3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 78813743
N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-thiophen-3-ylpropanamide
CID 39952479
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78835275
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide
CID 78803544
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
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55385230
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide
CID 74235505

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide (CID 78811639) is 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide is CSc1nc(C)c(CCC(=O)N(Cc2ccncc2)Cc2cccnc2)c(C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is YAEDDWOMSJPKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-16-20(17(2)26-22(25-16)29-3)6-7-21(28)27(14-18-8-11-23-12-9-18)15-19-5-4-10-24-13-19/h4-5,8-13H,6-7,14-15H2,1-3H3.
What are the key properties of 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide?
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 407.54 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 78811639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).