N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide

C10H12BrN3O — CID 79734229

IUPACN-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CNC2)ncc1Br
InChIInChI=1S/C10H12BrN3O/c1-6-2-9(13-5-8(6)11)14-10(15)7-3-12-4-7/h2,5,7,12H,3-4H2,1H3,(H,13,14,15)
InChIKeyDXVIJYMCGRUPGW-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.31
Rot. Bonds2

About N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide

N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide (PubChem CID 79734229) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide
PubChem CID79734229
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide
SMILESCc1cc(NC(=O)C2CNC2)ncc1Br
InChIInChI=1S/C10H12BrN3O/c1-6-2-9(13-5-8(6)11)14-10(15)7-3-12-4-7/h2,5,7,12H,3-4H2,1H3,(H,13,14,15)
InChIKeyDXVIJYMCGRUPGW-UHFFFAOYSA-N
XLogP1.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide (CID 79734229) is N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide is Cc1cc(NC(=O)C2CNC2)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide?
The InChIKey is DXVIJYMCGRUPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-6-2-9(13-5-8(6)11)14-10(15)7-3-12-4-7/h2,5,7,12H,3-4H2,1H3,(H,13,14,15).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide?
N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide has a molecular weight of 270.13 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)azetidine-3-carboxamide is sourced from PubChem (CID 79734229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).