5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide

C15H15BrN2O2 — CID 32602395

IUPAC5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-20-10-12-5-3-2-4-11(12)8-18-15(19)13-6-14(16)9-17-7-13/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyHMPBHMHTJVLMRV-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.92
Rot. Bonds5

About 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide

5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 32602395) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID32602395
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cncc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-20-10-12-5-3-2-4-11(12)8-18-15(19)13-6-14(16)9-17-7-13/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyHMPBHMHTJVLMRV-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 103826531
2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752307
5-bromo-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8968923
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63852378
4-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602161
3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602369
N-[[2-(methoxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762844
N'-benzoyl-5-bromopyridine-3-carbohydrazide
CID 40613239
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658
3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
CID 32604559
N-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridine-3-carboxamide
CID 60972248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide (CID 32602395) is 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide is COCc1ccccc1CNC(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is HMPBHMHTJVLMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-10-12-5-3-2-4-11(12)8-18-15(19)13-6-14(16)9-17-7-13/h2-7,9H,8,10H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide?
5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 32602395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).