N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide

C15H15BrN2O3 — CID 55919722

IUPACN-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCOc1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-15-13(6-3-7-18-15)14(19)17-8-9-21-12-5-2-4-11(16)10-12/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyDMRQEJZFOWYDKU-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide

N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide (PubChem CID 55919722) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
PubChem CID55919722
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCOc1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O3/c1-20-15-13(6-3-7-18-15)14(19)17-8-9-21-12-5-2-4-11(16)10-12/h2-7,10H,8-9H2,1H3,(H,17,19)
InChIKeyDMRQEJZFOWYDKU-UHFFFAOYSA-N
XLogP2.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
2-ethoxy-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 27859242
N-[2-(3-bromophenoxy)ethyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 55976011
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
N-(5-hydroxypentyl)-2-methoxypyridine-3-carboxamide
CID 107318362
N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 46399858
N-[2-(4-methoxyphenoxy)ethyl]quinoline-8-carboxamide
CID 51232751
N-[2-(3-bromophenoxy)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75505499
2-(3-bromophenoxy)ethyl 2-ethoxypyridine-3-carboxylate
CID 55315242
2-(3-bromophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105079137
N-[2-(diethylamino)ethyl]-2-methoxypyridine-3-carboxamide
CID 15462606

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide (CID 55919722) is N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCCOc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is DMRQEJZFOWYDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-15-13(6-3-7-18-15)14(19)17-8-9-21-12-5-2-4-11(16)10-12/h2-7,10H,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide?
N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 55919722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).