2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide

C17H22N2OS — CID 122133173

IUPAC2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1ccc(CC(=O)N(Cc2ccc(C)s2)C(C)C)cn1
InChIInChI=1S/C17H22N2OS/c1-12(2)19(11-16-8-6-14(4)21-16)17(20)9-15-7-5-13(3)18-10-15/h5-8,10,12H,9,11H2,1-4H3
InChIKeyWMWBIQGGOYUKNL-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.74
Rot. Bonds5

About 2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide

2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 122133173) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide
PubChem CID122133173
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1ccc(CC(=O)N(Cc2ccc(C)s2)C(C)C)cn1
InChIInChI=1S/C17H22N2OS/c1-12(2)19(11-16-8-6-14(4)21-16)17(20)9-15-7-5-13(3)18-10-15/h5-8,10,12H,9,11H2,1-4H3
InChIKeyWMWBIQGGOYUKNL-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide (CID 122133173) is 2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide is Cc1ccc(CC(=O)N(Cc2ccc(C)s2)C(C)C)cn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is WMWBIQGGOYUKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(2)19(11-16-8-6-14(4)21-16)17(20)9-15-7-5-13(3)18-10-15/h5-8,10,12H,9,11H2,1-4H3.
What are the key properties of 2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide?
2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 302.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 122133173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).