5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide

C11H13BrN2O2 — CID 78957062

IUPAC5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(Br)cn2)COC1
InChIInChI=1S/C11H13BrN2O2/c1-11(6-16-7-11)5-14-10(15)9-3-2-8(12)4-13-9/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyQDJHDEAPTCOIJH-UHFFFAOYSA-N
MW285.14 g/mol
LogP1.61
Rot. Bonds3

About 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide

5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 78957062) has the molecular formula C11H13BrN2O2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
PubChem CID78957062
Molecular FormulaC11H13BrN2O2
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(Br)cn2)COC1
InChIInChI=1S/C11H13BrN2O2/c1-11(6-16-7-11)5-14-10(15)9-3-2-8(12)4-13-9/h2-4H,5-7H2,1H3,(H,14,15)
InChIKeyQDJHDEAPTCOIJH-UHFFFAOYSA-N
XLogP1.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]pyridine-2-carboxamide
CID 136516861
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79039270
2-(4-bromophenyl)-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956667
6-chloro-N-[(3-methyloxetan-3-yl)methyl]pyrazine-2-carboxamide
CID 106551343
5-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-2-carboxamide
CID 79351145
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
2-bromo-4-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113257527
3-bromo-2-chloro-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 113362552
5-bromo-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64596698
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
5-bromo-N-[2-(bromomethyl)-2-ethylbutyl]pyridine-2-carboxamide
CID 106255667

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide (CID 78957062) is 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide is CC1(CNC(=O)c2ccc(Br)cn2)COC1.
What is the InChIKey of 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is QDJHDEAPTCOIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2/c1-11(6-16-7-11)5-14-10(15)9-3-2-8(12)4-13-9/h2-4H,5-7H2,1H3,(H,14,15).
What are the key properties of 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 285.14 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 78957062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).