N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide

C11H14BrClN2O2 — CID 106245143

IUPACN-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
SMILESCOCC(Br)CCNC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H14BrClN2O2/c1-17-7-8(12)4-5-14-11(16)10-3-2-9(13)6-15-10/h2-3,6,8H,4-5,7H2,1H3,(H,14,16)
InChIKeyNEYQDGLCIJHQKS-UHFFFAOYSA-N
MW321.60 g/mol
LogP2.26
Rot. Bonds6

About N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide

N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide (PubChem CID 106245143) has the molecular formula C11H14BrClN2O2 and a molecular weight of 321.60 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
PubChem CID106245143
Molecular FormulaC11H14BrClN2O2
Molecular Weight321.60 g/mol
Exact Mass319.99
IUPAC NameN-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
SMILESCOCC(Br)CCNC(=O)c1ccc(Cl)cn1
InChIInChI=1S/C11H14BrClN2O2/c1-17-7-8(12)4-5-14-11(16)10-3-2-9(13)6-15-10/h2-3,6,8H,4-5,7H2,1H3,(H,14,16)
InChIKeyNEYQDGLCIJHQKS-UHFFFAOYSA-N
XLogP2.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.60
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-bromo-4-methoxybutyl)-4-chlorobenzamide
CID 106245083
N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide
CID 106245303
N-(3-bromo-4-methoxybutyl)-1H-pyrazole-4-carboxamide
CID 106244861
5-bromo-N-(2-bromo-3-methoxypropyl)pyridine-2-carboxamide
CID 114309929
N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
CID 106244827
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946
N-(3-bromo-4-methoxybutyl)-4-chloro-2-nitrobenzamide
CID 106244850
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
N-(3-bromo-4-methoxybutyl)-2-methylpyridine-4-carboxamide
CID 106244762
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide (CID 106245143) is N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide is COCC(Br)CCNC(=O)c1ccc(Cl)cn1.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide?
The InChIKey is NEYQDGLCIJHQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O2/c1-17-7-8(12)4-5-14-11(16)10-3-2-9(13)6-15-10/h2-3,6,8H,4-5,7H2,1H3,(H,14,16).
What are the key properties of N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide?
N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide has a molecular weight of 321.60 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 106245143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).