3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide

C11H15BrN2O2 — CID 107518946

IUPAC3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
SMILESCOCCCN(C)C(=O)c1ncccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-14(7-4-8-16-2)11(15)10-9(12)5-3-6-13-10/h3,5-6H,4,7-8H2,1-2H3
InChIKeyWJGCJXUZJYEKQO-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.95
Rot. Bonds5

About 3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide

3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide (PubChem CID 107518946) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
PubChem CID107518946
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide
SMILESCOCCCN(C)C(=O)c1ncccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-14(7-4-8-16-2)11(15)10-9(12)5-3-6-13-10/h3,5-6H,4,7-8H2,1-2H3
InChIKeyWJGCJXUZJYEKQO-UHFFFAOYSA-N
XLogP1.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55228119
methyl 3-[(3-bromopyridine-2-carbonyl)-methylamino]-2-methylpropanoate
CID 107518636
N-[3-(4-fluorophenoxy)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 122159861
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carboxylic acid
CID 55179540
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
N-(2-ethoxyethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 81056077
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 113255190
3-bromo-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 107517936
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
2-bromo-N-(3-methoxypropyl)-N,5-dimethylbenzamide
CID 80992265
3-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 104741760
6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 55140872

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide (CID 107518946) is 3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide is COCCCN(C)C(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide?
The InChIKey is WJGCJXUZJYEKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-14(7-4-8-16-2)11(15)10-9(12)5-3-6-13-10/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of 3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide?
3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-methoxypropyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 107518946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).