2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide

C13H21N3O — CID 114011543

IUPAC2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-13(2,3)10-6-7-11(14-8-10)15-9-12(17)16(4)5/h6-8H,9H2,1-5H3,(H,14,15)
InChIKeyJMUBVDNWQWAYMA-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.88
Rot. Bonds3

About 2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide

2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide (PubChem CID 114011543) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide
PubChem CID114011543
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccc(C(C)(C)C)cn1
InChIInChI=1S/C13H21N3O/c1-13(2,3)10-6-7-11(14-8-10)15-9-12(17)16(4)5/h6-8H,9H2,1-5H3,(H,14,15)
InChIKeyJMUBVDNWQWAYMA-UHFFFAOYSA-N
XLogP1.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide (CID 114011543) is 2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1ccc(C(C)(C)C)cn1.
What is the InChIKey of 2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide?
The InChIKey is JMUBVDNWQWAYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)10-6-7-11(14-8-10)15-9-12(17)16(4)5/h6-8H,9H2,1-5H3,(H,14,15).
What are the key properties of 2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide?
2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-2-pyridinyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 114011543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).