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

C17H19BrN2O — CID 110408468

IUPACN-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)Nc1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-12(2)15(13-6-4-3-5-7-13)10-17(21)20-14-8-9-16(18)19-11-14/h3-9,11-12,15H,10H2,1-2H3,(H,20,21)
InChIKeyGXCJNGKQQYWEGU-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.61
Rot. Bonds5

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

N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide (PubChem CID 110408468) 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-3-phenylpentanamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide
PubChem CID110408468
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide
SMILESCC(C)C(CC(=O)Nc1ccc(Br)nc1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-12(2)15(13-6-4-3-5-7-13)10-17(21)20-14-8-9-16(18)19-11-14/h3-9,11-12,15H,10H2,1-2H3,(H,20,21)
InChIKeyGXCJNGKQQYWEGU-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
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

6-bromo-N-(2-methyl-1-phenylpropyl)pyridin-3-amine
CID 114051633
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
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N-(6-bromo-3-pyridinyl)-4-methyl-4-phenylpentanamide
CID 110614707
N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110614697
N-(6-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
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N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 9210815
(2R)-2-amino-N-(6-bromo-3-pyridinyl)propanamide
CID 103813937
N-(6-bromo-3-pyridinyl)-3-(dimethylamino)propanamide
CID 130770751
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
1-benzyl-3-(6-bromo-3-pyridinyl)urea
CID 110605118
3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103823688
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide (CID 110408468) is N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide is CC(C)C(CC(=O)Nc1ccc(Br)nc1)c1ccccc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide?
The InChIKey is GXCJNGKQQYWEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-12(2)15(13-6-4-3-5-7-13)10-17(21)20-14-8-9-16(18)19-11-14/h3-9,11-12,15H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide?
N-(6-bromo-3-pyridinyl)-4-methyl-3-phenylpentanamide has a molecular weight of 347.26 g/mol, XLogP of 4.61, 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-3-phenylpentanamide is sourced from PubChem (CID 110408468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).