N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide

C13H17Br2N3O2 — CID 155319518

IUPACN'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide
SMILESNC(=O)CCCCC(=O)Nc1cc(CBr)nc(CBr)c1
InChIInChI=1S/C13H17Br2N3O2/c14-7-10-5-9(6-11(8-15)17-10)18-13(20)4-2-1-3-12(16)19/h5-6H,1-4,7-8H2,(H2,16,19)(H,17,18,20)
InChIKeyHASSRKRETKHVFP-UHFFFAOYSA-N
MW407.11 g/mol
LogP2.86
Rot. Bonds8

About N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide

N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide (PubChem CID 155319518) has the molecular formula C13H17Br2N3O2 and a molecular weight of 407.11 g/mol. Its IUPAC name is N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide.

Molecular Properties

Compound NameN'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide
PubChem CID155319518
Molecular FormulaC13H17Br2N3O2
Molecular Weight407.11 g/mol
Exact Mass404.97
IUPAC NameN'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide
SMILESNC(=O)CCCCC(=O)Nc1cc(CBr)nc(CBr)c1
InChIInChI=1S/C13H17Br2N3O2/c14-7-10-5-9(6-11(8-15)17-10)18-13(20)4-2-1-3-12(16)19/h5-6H,1-4,7-8H2,(H2,16,19)(H,17,18,20)
InChIKeyHASSRKRETKHVFP-UHFFFAOYSA-N
XLogP2.86
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.11
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3,5-diacetylphenyl)dodecanediamide
CID 67588314
N'-(3,5-diacetylphenyl)nonanediamide
CID 67588670
N'-(3-acetyl-5-methylphenyl)decanediamide
CID 143191869
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 66818039
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401
5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide
CID 61273837
4-bromo-N-(3,4,5-trichlorophenyl)butanamide
CID 71446010
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
N,N'-bis(3,5-diacetylphenyl)octanediamide
CID 15541279
7-bromo-N-phenylheptanamide
CID 11266084
4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
N-(3,5-dichlorophenyl)-5-hydroxypentanamide
CID 79019042

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide?
The IUPAC name of N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide (CID 155319518) is N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide.
What is the SMILES notation for N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide?
The canonical SMILES for N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide is NC(=O)CCCCC(=O)Nc1cc(CBr)nc(CBr)c1.
What is the InChIKey of N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide?
The InChIKey is HASSRKRETKHVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2N3O2/c14-7-10-5-9(6-11(8-15)17-10)18-13(20)4-2-1-3-12(16)19/h5-6H,1-4,7-8H2,(H2,16,19)(H,17,18,20).
What are the key properties of N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide?
N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide has a molecular weight of 407.11 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide is sourced from PubChem (CID 155319518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).