N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide

C13H19BrN2O2 — CID 80671104

IUPACN-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide
SMILESCOCC(Br)CN(C)C(=O)c1ccc(C)nc1C
InChIInChI=1S/C13H19BrN2O2/c1-9-5-6-12(10(2)15-9)13(17)16(3)7-11(14)8-18-4/h5-6,11H,7-8H2,1-4H3
InChIKeyRPGTZJBWPAWXLQ-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.18
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide

N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide (PubChem CID 80671104) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide
PubChem CID80671104
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide
SMILESCOCC(Br)CN(C)C(=O)c1ccc(C)nc1C
InChIInChI=1S/C13H19BrN2O2/c1-9-5-6-12(10(2)15-9)13(17)16(3)7-11(14)8-18-4/h5-6,11H,7-8H2,1-4H3
InChIKeyRPGTZJBWPAWXLQ-UHFFFAOYSA-N
XLogP2.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-methoxypropyl)-N,2-dimethylbenzamide
CID 80670784
N-(2-bromo-3-methoxypropyl)-N,2,3-trimethylbenzamide
CID 80671445
2,4-dibromo-N-(2-bromo-3-methoxypropyl)-N-methylbenzamide
CID 114018651
N-(2-bromo-3-methoxypropyl)-2-hydroxy-N,5-dimethylbenzamide
CID 80670555
N-(2-bromo-3-methoxypropyl)-N,4-dimethylbenzamide
CID 80671004
N-(2-bromo-3-methoxypropyl)-2-fluoro-N,5-dimethylbenzamide
CID 80671755
N-(2-bromo-3-methoxypropyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885157
N-(2-bromo-3-methoxypropyl)-2,3-difluoro-N-methylbenzamide
CID 80671246
N-(2-bromo-3-methoxypropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 80678585
N-(2-bromo-3-methoxypropyl)-N-methyl-2-(trifluoromethyl)benzamide
CID 80678208
N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 80671429
N-(2-bromo-3-methoxypropyl)-N-methylpyridazine-4-carboxamide
CID 104672547

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide (CID 80671104) is N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide is COCC(Br)CN(C)C(=O)c1ccc(C)nc1C.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide?
The InChIKey is RPGTZJBWPAWXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-9-5-6-12(10(2)15-9)13(17)16(3)7-11(14)8-18-4/h5-6,11H,7-8H2,1-4H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide?
N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide is sourced from PubChem (CID 80671104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).