2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide

C14H19BrN4O — CID 61234995

IUPAC2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide
SMILESNC1CC2CCC(C1)N2CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H19BrN4O/c15-9-1-4-13(17-7-9)18-14(20)8-19-11-2-3-12(19)6-10(16)5-11/h1,4,7,10-12H,2-3,5-6,8,16H2,(H,17,18,20)
InChIKeyMSXFNQLUIMHFLD-UHFFFAOYSA-N
MW339.24 g/mol
LogP1.74
Rot. Bonds3

About 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide

2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide (PubChem CID 61234995) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide
PubChem CID61234995
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide
SMILESNC1CC2CCC(C1)N2CC(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C14H19BrN4O/c15-9-1-4-13(17-7-9)18-14(20)8-19-11-2-3-12(19)6-10(16)5-11/h1,4,7,10-12H,2-3,5-6,8,16H2,(H,17,18,20)
InChIKeyMSXFNQLUIMHFLD-UHFFFAOYSA-N
XLogP1.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide with MolForge

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Related Compounds

2-(3-amino-5-methylpiperidin-1-yl)-N-(5-bromo-2-pyridinyl)acetamide
CID 79994575
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(4-bromo-3-methylphenyl)acetamide
CID 61236329
N-(5-bromo-2-pyridinyl)-2-(oxan-4-yl)acetamide
CID 115274048
N-(5-bromo-2-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 60712565
N-(5-bromo-2-pyridinyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926681
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(5-bromo-2-pyridinyl)acetamide;dihydrochloride
CID 120728422
N-(5-bromo-2-pyridinyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 115274071
2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009845
N-(5-bromo-2-pyridinyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide;dihydrochloride
CID 119928120
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441331
N-(5-bromo-2-pyridinyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 17066616
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide?
The IUPAC name of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide (CID 61234995) is 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide?
The canonical SMILES for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide is NC1CC2CCC(C1)N2CC(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide?
The InChIKey is MSXFNQLUIMHFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c15-9-1-4-13(17-7-9)18-14(20)8-19-11-2-3-12(19)6-10(16)5-11/h1,4,7,10-12H,2-3,5-6,8,16H2,(H,17,18,20).
What are the key properties of 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide?
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide has a molecular weight of 339.24 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-(5-bromo-2-pyridinyl)acetamide is sourced from PubChem (CID 61234995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).