2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

C16H20N2OS — CID 2726737

IUPAC2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)N(Cc1cccnc1)Cc1cccs1
InChIInChI=1S/C16H20N2OS/c1-16(2,3)15(19)18(12-14-7-5-9-20-14)11-13-6-4-8-17-10-13/h4-10H,11-12H2,1-3H3
InChIKeyDZRPPSFKQKYZTM-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.72
Rot. Bonds4

About 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide

2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 2726737) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID2726737
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)N(Cc1cccnc1)Cc1cccs1
InChIInChI=1S/C16H20N2OS/c1-16(2,3)15(19)18(12-14-7-5-9-20-14)11-13-6-4-8-17-10-13/h4-10H,11-12H2,1-3H3
InChIKeyDZRPPSFKQKYZTM-UHFFFAOYSA-N
XLogP3.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide (CID 2726737) is 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is CC(C)(C)C(=O)N(Cc1cccnc1)Cc1cccs1.
What is the InChIKey of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is DZRPPSFKQKYZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-16(2,3)15(19)18(12-14-7-5-9-20-14)11-13-6-4-8-17-10-13/h4-10H,11-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide?
2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 288.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 2726737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).