5-bromo-N,N-dihexylpyridine-3-carboxamide

C18H29BrN2O — CID 132587531

IUPAC5-bromo-N,N-dihexylpyridine-3-carboxamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cncc(Br)c1
InChIInChI=1S/C18H29BrN2O/c1-3-5-7-9-11-21(12-10-8-6-4-2)18(22)16-13-17(19)15-20-14-16/h13-15H,3-12H2,1-2H3
InChIKeyVICLVNPJBXTFAM-UHFFFAOYSA-N
MW369.35 g/mol
LogP5.45
Rot. Bonds11

About 5-bromo-N,N-dihexylpyridine-3-carboxamide

5-bromo-N,N-dihexylpyridine-3-carboxamide (PubChem CID 132587531) has the molecular formula C18H29BrN2O and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-bromo-N,N-dihexylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-dihexylpyridine-3-carboxamide
PubChem CID132587531
Molecular FormulaC18H29BrN2O
Molecular Weight369.35 g/mol
Exact Mass368.15
IUPAC Name5-bromo-N,N-dihexylpyridine-3-carboxamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cncc(Br)c1
InChIInChI=1S/C18H29BrN2O/c1-3-5-7-9-11-21(12-10-8-6-4-2)18(22)16-13-17(19)15-20-14-16/h13-15H,3-12H2,1-2H3
InChIKeyVICLVNPJBXTFAM-UHFFFAOYSA-N
XLogP5.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 115772011
4-bromo-N,N-dipentylbenzamide
CID 4599077
N-butyl-5-fluoro-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 115769637
3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 60793303
N-(2-bromoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922718
5-bromo-N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]pyridine-3-carboxamide
CID 70461907
ethyl 2-[(5-bromopyridine-3-carbonyl)-ethylamino]acetate
CID 54949215
5-(butylamino)-N,N-dipropylpyridine-3-carboxamide
CID 109224616
5-chloro-N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 70463058
5-[butyl(methyl)amino]-N,N-diethylpyridine-3-carboxamide
CID 109238765
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dihexylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N,N-dihexylpyridine-3-carboxamide (CID 132587531) is 5-bromo-N,N-dihexylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N,N-dihexylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N,N-dihexylpyridine-3-carboxamide is CCCCCCN(CCCCCC)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N,N-dihexylpyridine-3-carboxamide?
The InChIKey is VICLVNPJBXTFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2O/c1-3-5-7-9-11-21(12-10-8-6-4-2)18(22)16-13-17(19)15-20-14-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 5-bromo-N,N-dihexylpyridine-3-carboxamide?
5-bromo-N,N-dihexylpyridine-3-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 5.45, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dihexylpyridine-3-carboxamide is sourced from PubChem (CID 132587531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).