2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide

C13H21N3O — CID 78986887

IUPAC2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CNC(C)(C)C
InChIInChI=1S/C13H21N3O/c1-13(2,3)15-9-12(17)16(4)10-11-6-5-7-14-8-11/h5-8,15H,9-10H2,1-4H3
InChIKeyAJLPSEPYHXZTAW-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.43
Rot. Bonds4

About 2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide

2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 78986887) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
PubChem CID78986887
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CNC(C)(C)C
InChIInChI=1S/C13H21N3O/c1-13(2,3)15-9-12(17)16(4)10-11-6-5-7-14-8-11/h5-8,15H,9-10H2,1-4H3
InChIKeyAJLPSEPYHXZTAW-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide (CID 78986887) is 2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1cccnc1)C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is AJLPSEPYHXZTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)15-9-12(17)16(4)10-11-6-5-7-14-8-11/h5-8,15H,9-10H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide?
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 78986887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).