N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide

C11H15BrN2O2 — CID 114309316

IUPACN-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCOCCBr)n1
InChIInChI=1S/C11H15BrN2O2/c1-9-3-2-4-10(14-9)11(15)13-6-8-16-7-5-12/h2-4H,5-8H2,1H3,(H,13,15)
InChIKeyMVPIUBNBXVKPFO-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide

N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide (PubChem CID 114309316) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide
PubChem CID114309316
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCOCCBr)n1
InChIInChI=1S/C11H15BrN2O2/c1-9-3-2-4-10(14-9)11(15)13-6-8-16-7-5-12/h2-4H,5-8H2,1H3,(H,13,15)
InChIKeyMVPIUBNBXVKPFO-UHFFFAOYSA-N
XLogP1.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 38450854
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-2-carboxamide
CID 62237016
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide
CID 114296366
N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110483053
N-[2-[2-(dimethylamino)ethoxy]ethyl]-6-fluoropyridine-2-carboxamide
CID 113384171
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide
CID 114309215
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide (CID 114309316) is N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCCOCCBr)n1.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide?
The InChIKey is MVPIUBNBXVKPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-9-3-2-4-10(14-9)11(15)13-6-8-16-7-5-12/h2-4H,5-8H2,1H3,(H,13,15).
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide?
N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 114309316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).