2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide

C19H19N3OS — CID 56789486

IUPAC2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)N(Cc2ccncc2)Cc2cccnc2)s1
InChIInChI=1S/C19H19N3OS/c1-15-4-5-18(24-15)11-19(23)22(13-16-6-9-20-10-7-16)14-17-3-2-8-21-12-17/h2-10,12H,11,13-14H2,1H3
InChIKeyQDWHIGRSLWYGDL-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.62
Rot. Bonds6

About 2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide

2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 56789486) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID56789486
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)N(Cc2ccncc2)Cc2cccnc2)s1
InChIInChI=1S/C19H19N3OS/c1-15-4-5-18(24-15)11-19(23)22(13-16-6-9-20-10-7-16)14-17-3-2-8-21-12-17/h2-10,12H,11,13-14H2,1H3
InChIKeyQDWHIGRSLWYGDL-UHFFFAOYSA-N
XLogP3.62
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78811639
4-methylsulfanyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792775
N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 46997748
2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 78844371
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)butanamide
CID 78803544
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)propanamide
CID 78835277
N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3865539
2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 126809690

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide (CID 56789486) is 2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide is Cc1ccc(CC(=O)N(Cc2ccncc2)Cc2cccnc2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is QDWHIGRSLWYGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-15-4-5-18(24-15)11-19(23)22(13-16-6-9-20-10-7-16)14-17-3-2-8-21-12-17/h2-10,12H,11,13-14H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide?
2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 337.45 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 56789486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).