5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide

C17H19BrN2O — CID 60793303

IUPAC5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)c1cncc(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-20(17(21)15-11-16(18)13-19-12-15)10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,11-13H,5-6,9-10H2,1H3
InChIKeyKGJBQHGTLIICFS-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.94
Rot. Bonds6

About 5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide

5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide (PubChem CID 60793303) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
PubChem CID60793303
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)c1cncc(Br)c1
InChIInChI=1S/C17H19BrN2O/c1-20(17(21)15-11-16(18)13-19-12-15)10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,11-13H,5-6,9-10H2,1H3
InChIKeyKGJBQHGTLIICFS-UHFFFAOYSA-N
XLogP3.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.94
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-phenyl-N-(2-phenylethyl)pyridine-3-carboxamide
CID 51126618
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
5-[benzyl(ethyl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109234838
5-(benzylamino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109231838
5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320
6-fluoro-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide
CID 63978971
5-bromo-N,N-dihexylpyridine-3-carboxamide
CID 132587531
3-amino-N-methyl-N-(4-phenylbutyl)benzamide;hydrochloride
CID 119733712
2-[methyl(4-phenylbutyl)carbamoyl]pyridine-4-carboxylic acid
CID 122055292
3-N-butyl-5-N-ethyl-3-N-methyl-5-N-phenylpyridine-3,5-dicarboxamide
CID 109107334
3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide
CID 104852356
3-bromo-5-chloro-N-methyl-N-(2-phenylethyl)benzamide
CID 103826656

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide (CID 60793303) is 5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide is CN(CCCCc1ccccc1)C(=O)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide?
The InChIKey is KGJBQHGTLIICFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-20(17(21)15-11-16(18)13-19-12-15)10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,11-13H,5-6,9-10H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide?
5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide has a molecular weight of 347.26 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(4-phenylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 60793303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).