2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide

C15H15BrN2O2 — CID 103752307

IUPAC2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-20-10-13-5-3-2-4-12(13)9-18-15(19)11-6-7-17-14(16)8-11/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeySGQFZAORDZYFKO-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.92
Rot. Bonds5

About 2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide

2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 103752307) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID103752307
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1ccnc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-20-10-13-5-3-2-4-12(13)9-18-15(19)11-6-7-17-14(16)8-11/h2-8H,9-10H2,1H3,(H,18,19)
InChIKeySGQFZAORDZYFKO-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

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752326
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
5-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 32602395
3-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-4-methylbenzamide
CID 32604559
3-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602369
2-bromo-N-(quinolin-8-ylmethyl)pyridine-4-carboxamide
CID 103754997
3-bromo-5-chloro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 103826531
N-[[2-(methoxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762844
2-bromo-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114037435
4-iodo-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 32602161
N-[[2-(methoxymethyl)phenyl]methyl]-3-sulfamoylbenzamide
CID 34684530
4-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 60924658

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide (CID 103752307) is 2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide is COCc1ccccc1CNC(=O)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is SGQFZAORDZYFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-10-13-5-3-2-4-12(13)9-18-15(19)11-6-7-17-14(16)8-11/h2-8H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide?
2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-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 2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103752307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).