N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide

C16H17BrN2O2 — CID 106754238

IUPACN-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(C)c2)cc1CBr
InChIInChI=1S/C16H17BrN2O2/c1-3-21-15-5-4-14(9-13(15)10-17)19-16(20)12-6-7-18-11(2)8-12/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyZSUDKKDQBXATOK-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.94
Rot. Bonds5

About N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide

N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide (PubChem CID 106754238) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
PubChem CID106754238
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(C)c2)cc1CBr
InChIInChI=1S/C16H17BrN2O2/c1-3-21-15-5-4-14(9-13(15)10-17)19-16(20)12-6-7-18-11(2)8-12/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyZSUDKKDQBXATOK-UHFFFAOYSA-N
XLogP3.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(bromomethyl)-4-ethoxyphenyl]-5-methylpyridine-3-carboxamide
CID 114313679
N-[3-(bromomethyl)-4-ethoxyphenyl]-4-chlorobenzamide
CID 114313641
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
N-[3-(bromomethyl)-4-ethoxyphenyl]-3-methylthiophene-2-carboxamide
CID 114313610
2,5-dibromo-N-[3-(bromomethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
CID 107966149
N-[3-(chloromethyl)-4-ethoxyphenyl]pyridazine-4-carboxamide
CID 104672631
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60795263
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-[3-(bromomethyl)-4-ethoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949703
N-[3-(bromomethyl)-4-ethoxyphenyl]cyclohexanecarboxamide
CID 114313578
N-[3-(chloromethyl)-4-ethoxyphenyl]benzamide
CID 114302965

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide (CID 106754238) is N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(C)c2)cc1CBr.
What is the InChIKey of N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide?
The InChIKey is ZSUDKKDQBXATOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-3-21-15-5-4-14(9-13(15)10-17)19-16(20)12-6-7-18-11(2)8-12/h4-9H,3,10H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide?
N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)-4-ethoxyphenyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106754238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).