N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide

C17H19BrN2O — CID 110614707

IUPACN-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide
SMILESCC(C)(CCC(=O)Nc1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-17(2,13-6-4-3-5-7-13)11-10-16(21)20-14-8-9-15(18)19-12-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyBBAYNJWRDDYCAM-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.54
Rot. Bonds5

About N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide

N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide (PubChem CID 110614707) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide
PubChem CID110614707
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide
SMILESCC(C)(CCC(=O)Nc1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-17(2,13-6-4-3-5-7-13)11-10-16(21)20-14-8-9-15(18)19-12-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyBBAYNJWRDDYCAM-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
N-(2-anilino-2-oxoethyl)-4-methyl-4-phenylpentanamide
CID 110353745
N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide
CID 110408468
N-(6-bromo-3-pyridinyl)-4-(2-chlorophenyl)-4-oxobutanamide
CID 110614772
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide
CID 110608238
4-methyl-4-phenylpentaneperoxoic acid
CID 54384319
1-benzyl-3-(6-bromo-3-pyridinyl)urea
CID 110605118
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103789411
N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110619359
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide (CID 110614707) is N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide is CC(C)(CCC(=O)Nc1ccc(Br)nc1)c1ccccc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide?
The InChIKey is BBAYNJWRDDYCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-17(2,13-6-4-3-5-7-13)11-10-16(21)20-14-8-9-15(18)19-12-14/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide?
N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide has a molecular weight of 347.26 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide is sourced from PubChem (CID 110614707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).