1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide

C10H12BrN3O — CID 165488499

IUPAC1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide
SMILESCc1ccnc(N2CCC2C(N)=O)c1Br
InChIInChI=1S/C10H12BrN3O/c1-6-2-4-13-10(8(6)11)14-5-3-7(14)9(12)15/h2,4,7H,3,5H2,1H3,(H2,12,15)
InChIKeyHVHZKRLXLJPHJE-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.22
Rot. Bonds2

About 1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide

1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide (PubChem CID 165488499) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide
PubChem CID165488499
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide
SMILESCc1ccnc(N2CCC2C(N)=O)c1Br
InChIInChI=1S/C10H12BrN3O/c1-6-2-4-13-10(8(6)11)14-5-3-7(14)9(12)15/h2,4,7H,3,5H2,1H3,(H2,12,15)
InChIKeyHVHZKRLXLJPHJE-UHFFFAOYSA-N
XLogP1.22
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide?
The IUPAC name of 1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide (CID 165488499) is 1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide.
What is the SMILES notation for 1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide?
The canonical SMILES for 1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide is Cc1ccnc(N2CCC2C(N)=O)c1Br.
What is the InChIKey of 1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide?
The InChIKey is HVHZKRLXLJPHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-6-2-4-13-10(8(6)11)14-5-3-7(14)9(12)15/h2,4,7H,3,5H2,1H3,(H2,12,15).
What are the key properties of 1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide?
1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide has a molecular weight of 270.13 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methyl-2-pyridinyl)azetidine-2-carboxamide is sourced from PubChem (CID 165488499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).