N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide

C13H21N3O — CID 60912742

IUPACN-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide
SMILESCC(C)(C)NC(=O)CNCCc1cccnc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)16-12(17)10-15-8-6-11-5-4-7-14-9-11/h4-5,7,9,15H,6,8,10H2,1-3H3,(H,16,17)
InChIKeyDJUVJUOMZXUMSX-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.13
Rot. Bonds5

About N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide

N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide (PubChem CID 60912742) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide
PubChem CID60912742
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide
SMILESCC(C)(C)NC(=O)CNCCc1cccnc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)16-12(17)10-15-8-6-11-5-4-7-14-9-11/h4-5,7,9,15H,6,8,10H2,1-3H3,(H,16,17)
InChIKeyDJUVJUOMZXUMSX-UHFFFAOYSA-N
XLogP1.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60913081
3,3-dimethyl-4-(2-pyridin-3-ylethylamino)butanoic acid
CID 115220433
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 86912821
2-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-3-ylethyl)acetamide
CID 112605093
4-[(2-pyridin-3-ylethylamino)methyl]benzoic acid
CID 62215588
2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 65266580
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
3-methyl-N-(2-pyridin-3-ylethyl)but-3-en-1-amine
CID 114472077
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
CID 113222580
2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
CID 64584041

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide (CID 60912742) is N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide is CC(C)(C)NC(=O)CNCCc1cccnc1.
What is the InChIKey of N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide?
The InChIKey is DJUVJUOMZXUMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)16-12(17)10-15-8-6-11-5-4-7-14-9-11/h4-5,7,9,15H,6,8,10H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide?
N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide is sourced from PubChem (CID 60912742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).