N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide

C11H15BrN2O2 — CID 114309523

IUPACN-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCCOCCBr)c1
InChIInChI=1S/C11H15BrN2O2/c1-9-6-10(8-13-7-9)11(15)14-3-5-16-4-2-12/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyHXNVXDUXTXZGRZ-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide

N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide (PubChem CID 114309523) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide
PubChem CID114309523
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCCOCCBr)c1
InChIInChI=1S/C11H15BrN2O2/c1-9-6-10(8-13-7-9)11(15)14-3-5-16-4-2-12/h6-8H,2-5H2,1H3,(H,14,15)
InChIKeyHXNVXDUXTXZGRZ-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

N-[2-(2-bromoethoxy)ethyl]-3-fluoro-4-methylbenzamide
CID 114309408
N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide
CID 114310132
N-[2-(2-bromoethoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 114309219
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 104593590
N-[2-(2-bromoethoxy)ethyl]-4-methyl-3-nitrobenzamide
CID 113274333
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
5-bromo-N-(3-propoxypropyl)pyridine-3-carboxamide
CID 82944503
5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide
CID 178011201
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
N-[2-(2-chlorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 11608789
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-2-methylbenzamide
CID 114309490

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide (CID 114309523) is N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCCOCCBr)c1.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide?
The InChIKey is HXNVXDUXTXZGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-9-6-10(8-13-7-9)11(15)14-3-5-16-4-2-12/h6-8H,2-5H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide?
N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-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]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 114309523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).