6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide

C16H17BrN2O2 — CID 103875146

IUPAC6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide
SMILESCN(CCCOc1ccccc1)C(=O)c1cccc(Br)n1
InChIInChI=1S/C16H17BrN2O2/c1-19(16(20)14-9-5-10-15(17)18-14)11-6-12-21-13-7-3-2-4-8-13/h2-5,7-10H,6,11-12H2,1H3
InChIKeySECAHUGGPJDHND-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.39
Rot. Bonds6

About 6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide

6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide (PubChem CID 103875146) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide
PubChem CID103875146
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide
SMILESCN(CCCOc1ccccc1)C(=O)c1cccc(Br)n1
InChIInChI=1S/C16H17BrN2O2/c1-19(16(20)14-9-5-10-15(17)18-14)11-6-12-21-13-7-3-2-4-8-13/h2-5,7-10H,6,11-12H2,1H3
InChIKeySECAHUGGPJDHND-UHFFFAOYSA-N
XLogP3.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
2-[(4-chlorophenoxy)methyl]-N-methyl-N-(3-phenoxypropyl)-1,3-thiazole-4-carboxamide
CID 55654397
6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 55140872
6-bromo-N-(3-hydroxybutyl)-N-methylpyridine-2-carboxamide
CID 103916984
2-bromo-N-methyl-N-(3-phenoxypropyl)butanamide
CID 55125595
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
2-bromo-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 103751913
5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 38579323
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 61042256
3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
CID 64524057

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide (CID 103875146) is 6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide is CN(CCCOc1ccccc1)C(=O)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide?
The InChIKey is SECAHUGGPJDHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-19(16(20)14-9-5-10-15(17)18-14)11-6-12-21-13-7-3-2-4-8-13/h2-5,7-10H,6,11-12H2,1H3.
What are the key properties of 6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide?
6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 103875146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).