5-bromo-N-(3-bromo-4-pyridinyl)pentanamide

C10H12Br2N2O — CID 107910435

IUPAC5-bromo-N-(3-bromo-4-pyridinyl)pentanamide
SMILESO=C(CCCCBr)Nc1ccncc1Br
InChIInChI=1S/C10H12Br2N2O/c11-5-2-1-3-10(15)14-9-4-6-13-7-8(9)12/h4,6-7H,1-3,5H2,(H,13,14,15)
InChIKeyURCDHGHSIBOLRG-UHFFFAOYSA-N
MW336.03 g/mol
LogP3.35
Rot. Bonds5

About 5-bromo-N-(3-bromo-4-pyridinyl)pentanamide

5-bromo-N-(3-bromo-4-pyridinyl)pentanamide (PubChem CID 107910435) has the molecular formula C10H12Br2N2O and a molecular weight of 336.03 g/mol. Its IUPAC name is 5-bromo-N-(3-bromo-4-pyridinyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-bromo-4-pyridinyl)pentanamide
PubChem CID107910435
Molecular FormulaC10H12Br2N2O
Molecular Weight336.03 g/mol
Exact Mass333.93
IUPAC Name5-bromo-N-(3-bromo-4-pyridinyl)pentanamide
SMILESO=C(CCCCBr)Nc1ccncc1Br
InChIInChI=1S/C10H12Br2N2O/c11-5-2-1-3-10(15)14-9-4-6-13-7-8(9)12/h4,6-7H,1-3,5H2,(H,13,14,15)
InChIKeyURCDHGHSIBOLRG-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 53.35
H-Bond Donors ≤ 51
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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Related Compounds

5-bromo-N-(2-bromo-5-nitrophenyl)pentanamide
CID 114014927
[2-(5-bromopentanoylamino)phenyl]carbamic acid
CID 175518912
2-bromo-N-(3-bromo-4-pyridinyl)-2-methylpropanamide
CID 114328998
5-bromo-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 107909063
N-(3-amino-4-pyridinyl)pentanamide
CID 63061735
N-(4-chloro-3-pyridinyl)-5-hydroxypentanamide
CID 83166682
3-(4-aminophenyl)-N-(3-bromo-4-pyridinyl)butanamide
CID 104502905
5-(4-bromophenyl)-N-(4-methyl-3-pyridinyl)pentanamide
CID 166195436
5-bromo-N-(2,3,4-trifluorophenyl)pentanamide
CID 103601724
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
5-bromo-N-(2-chloro-4-pyridinyl)pentanamide
CID 107910446
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-bromo-4-pyridinyl)pentanamide?
The IUPAC name of 5-bromo-N-(3-bromo-4-pyridinyl)pentanamide (CID 107910435) is 5-bromo-N-(3-bromo-4-pyridinyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-bromo-4-pyridinyl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-bromo-4-pyridinyl)pentanamide is O=C(CCCCBr)Nc1ccncc1Br.
What is the InChIKey of 5-bromo-N-(3-bromo-4-pyridinyl)pentanamide?
The InChIKey is URCDHGHSIBOLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N2O/c11-5-2-1-3-10(15)14-9-4-6-13-7-8(9)12/h4,6-7H,1-3,5H2,(H,13,14,15).
What are the key properties of 5-bromo-N-(3-bromo-4-pyridinyl)pentanamide?
5-bromo-N-(3-bromo-4-pyridinyl)pentanamide has a molecular weight of 336.03 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-bromo-4-pyridinyl)pentanamide is sourced from PubChem (CID 107910435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).