N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide

C11H14BrN3O — CID 23369515

IUPACN-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cccc(Br)n2)C1
InChIInChI=1S/C11H14BrN3O/c1-8(16)13-5-9-6-15(7-9)11-4-2-3-10(12)14-11/h2-4,9H,5-7H2,1H3,(H,13,16)
InChIKeyIQCFRYBISQHHIO-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.42
Rot. Bonds3

About N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide

N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide (PubChem CID 23369515) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide
PubChem CID23369515
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC NameN-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cccc(Br)n2)C1
InChIInChI=1S/C11H14BrN3O/c1-8(16)13-5-9-6-15(7-9)11-4-2-3-10(12)14-11/h2-4,9H,5-7H2,1H3,(H,13,16)
InChIKeyIQCFRYBISQHHIO-UHFFFAOYSA-N
XLogP1.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048
1-(6-bromo-2-pyridinyl)azetidin-3-ol
CID 130844354
2-bromo-6-[(5S)-3,5-dimethylpiperidin-1-yl]pyridine
CID 170582340
2-bromo-6-(4-ethylpiperidin-1-yl)pyridine
CID 63963224
1-(6-bromo-2-pyridinyl)-3-methylpiperidin-4-ol
CID 114679698
N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102735956
2-bromo-6-(3-methylpyrrolidin-1-yl)pyridine
CID 63961516
1-(6-bromo-2-pyridinyl)-N-methylpiperidin-4-amine;hydrochloride
CID 71642777
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 103916767
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
CID 103279976
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide (CID 23369515) is N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide is CC(=O)NCC1CN(c2cccc(Br)n2)C1.
What is the InChIKey of N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide?
The InChIKey is IQCFRYBISQHHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-8(16)13-5-9-6-15(7-9)11-4-2-3-10(12)14-11/h2-4,9H,5-7H2,1H3,(H,13,16).
What are the key properties of N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide?
N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide has a molecular weight of 284.16 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-bromo-2-pyridinyl)azetidin-3-yl]methyl]acetamide is sourced from PubChem (CID 23369515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).