N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide

C13H21N3O — CID 123487385

IUPACN-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(C)(C)N)nc1
InChIInChI=1S/C13H21N3O/c1-12(2,3)11(17)16-9-6-7-10(15-8-9)13(4,5)14/h6-8H,14H2,1-5H3,(H,16,17)
InChIKeyJLYJAAPEOIDSQZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.26
Rot. Bonds2

About N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide

N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 123487385) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide
PubChem CID123487385
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C(C)(C)N)nc1
InChIInChI=1S/C13H21N3O/c1-12(2,3)11(17)16-9-6-7-10(15-8-9)13(4,5)14/h6-8H,14H2,1-5H3,(H,16,17)
InChIKeyJLYJAAPEOIDSQZ-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 114329026
2,2-dimethyl-N-[6-(propanoylamino)-3-pyridinyl]propanamide
CID 1452729
N-[6-(butanoylamino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 1452758
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
[4-(2,2-dimethylpropanoylamino)phenyl]sulfonyl-pyrimidin-2-ylazanide
CID 5061548
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113016953
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
N-(2-ethoxypyrimidin-5-yl)-2,2-dimethylpropanamide
CID 122301757
2-amino-N-(6-bromo-3-pyridinyl)-2-cyclopropylpropanamide
CID 103821261
2,2-dimethyl-N-(2-phenoxypyrimidin-5-yl)propanamide
CID 122302193

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide (CID 123487385) is N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(C(C)(C)N)nc1.
What is the InChIKey of N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is JLYJAAPEOIDSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12(2,3)11(17)16-9-6-7-10(15-8-9)13(4,5)14/h6-8H,14H2,1-5H3,(H,16,17).
What are the key properties of N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide?
N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminopropan-2-yl)-3-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 123487385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).