6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide

C20H25BrN2O — CID 162410320

IUPAC6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide
SMILESCCCN(C(=O)CCCCCBr)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C20H25BrN2O/c1-2-15-23(20(24)11-7-4-8-13-21)19-16-18(12-14-22-19)17-9-5-3-6-10-17/h3,5-6,9-10,12,14,16H,2,4,7-8,11,13,15H2,1H3
InChIKeySXADNTNDLOSLGA-UHFFFAOYSA-N
MW389.34 g/mol
LogP5.45
Rot. Bonds9

About 6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide

6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide (PubChem CID 162410320) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide.

Molecular Properties

Compound Name6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide
PubChem CID162410320
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC Name6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide
SMILESCCCN(C(=O)CCCCCBr)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C20H25BrN2O/c1-2-15-23(20(24)11-7-4-8-13-21)19-16-18(12-14-22-19)17-9-5-3-6-10-17/h3,5-6,9-10,12,14,16H,2,4,7-8,11,13,15H2,1H3
InChIKeySXADNTNDLOSLGA-UHFFFAOYSA-N
XLogP5.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.34
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide?
The IUPAC name of 6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide (CID 162410320) is 6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide.
What is the SMILES notation for 6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide?
The canonical SMILES for 6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide is CCCN(C(=O)CCCCCBr)c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide?
The InChIKey is SXADNTNDLOSLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-2-15-23(20(24)11-7-4-8-13-21)19-16-18(12-14-22-19)17-9-5-3-6-10-17/h3,5-6,9-10,12,14,16H,2,4,7-8,11,13,15H2,1H3.
What are the key properties of 6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide?
6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide has a molecular weight of 389.34 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-phenyl-2-pyridinyl)-N-propylhexanamide is sourced from PubChem (CID 162410320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).