N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane

C13H20BrN3O — CID 142496162

IUPACN-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane
SMILESCC.O=C(CNC1CCC1)Nc1cccc(Br)n1
InChIInChI=1S/C11H14BrN3O.C2H6/c12-9-5-2-6-10(14-9)15-11(16)7-13-8-3-1-4-8;1-2/h2,5-6,8,13H,1,3-4,7H2,(H,14,15,16);1-2H3
InChIKeyBYIBSDTXMYQRQG-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.95
Rot. Bonds4

About N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane

N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane (PubChem CID 142496162) has the molecular formula C13H20BrN3O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane
PubChem CID142496162
Molecular FormulaC13H20BrN3O
Molecular Weight314.23 g/mol
Exact Mass313.08
IUPAC NameN-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane
SMILESCC.O=C(CNC1CCC1)Nc1cccc(Br)n1
InChIInChI=1S/C11H14BrN3O.C2H6/c12-9-5-2-6-10(14-9)15-11(16)7-13-8-3-1-4-8;1-2/h2,5-6,8,13H,1,3-4,7H2,(H,14,15,16);1-2H3
InChIKeyBYIBSDTXMYQRQG-UHFFFAOYSA-N
XLogP2.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopentylamino)acetamide
CID 79048110
cyclobutyl N-(6-bromo-2-pyridinyl)carbamate
CID 130640494
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
4-bromo-N-(6-bromo-2-pyridinyl)butanamide
CID 134366786
N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 47461932
2-(cyclopentylamino)-N-(2,6-diethylphenyl)acetamide
CID 60647214
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 130299737
N-(6-bromo-2-pyridinyl)-5-methylpyrrolidine-2-carboxamide
CID 140776721
N-(6-bromo-2-pyridinyl)-4-butylcyclohexane-1-carboxamide
CID 43520432
2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
2-(cycloheptylamino)-N-(2,3-dimethylphenyl)acetamide
CID 109005556
N-(6-bromo-2-pyridinyl)but-3-enamide
CID 62677588

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane (CID 142496162) is N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane is CC.O=C(CNC1CCC1)Nc1cccc(Br)n1.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane?
The InChIKey is BYIBSDTXMYQRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O.C2H6/c12-9-5-2-6-10(14-9)15-11(16)7-13-8-3-1-4-8;1-2/h2,5-6,8,13H,1,3-4,7H2,(H,14,15,16);1-2H3.
What are the key properties of N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane?
N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane has a molecular weight of 314.23 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-pyridinyl)-2-(cyclobutylamino)acetamide;ethane is sourced from PubChem (CID 142496162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).