4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide

C18H19Br2N3O2 — CID 126478002

IUPAC4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C18H19Br2N3O2/c19-14-7-5-13(6-8-14)18(25)21-11-3-1-2-4-17(24)23-16-10-9-15(20)12-22-16/h5-10,12H,1-4,11H2,(H,21,25)(H,22,23,24)
InChIKeyCSGWAZQKUSUPRD-UHFFFAOYSA-N
MW469.18 g/mol
LogP4.54
Rot. Bonds8

About 4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide

4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide (PubChem CID 126478002) has the molecular formula C18H19Br2N3O2 and a molecular weight of 469.18 g/mol. Its IUPAC name is 4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide
PubChem CID126478002
Molecular FormulaC18H19Br2N3O2
Molecular Weight469.18 g/mol
Exact Mass466.98
IUPAC Name4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide
SMILESO=C(CCCCCNC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C18H19Br2N3O2/c19-14-7-5-13(6-8-14)18(25)21-11-3-1-2-4-17(24)23-16-10-9-15(20)12-22-16/h5-10,12H,1-4,11H2,(H,21,25)(H,22,23,24)
InChIKeyCSGWAZQKUSUPRD-UHFFFAOYSA-N
XLogP4.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.18
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
CID 764849
4-bromo-N-hexadecylbenzamide
CID 54791037
N-[2-(7-aminoheptanoylamino)ethyl]-4-bromobenzamide
CID 119741967
7-[(5-bromo-2-pyridinyl)amino]heptanoic acid
CID 24701669
6-[(5-bromo-2-pyridinyl)amino]hexanoic acid
CID 24704054
4-bromo-N-pentylbenzamide
CID 4167913
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
CID 112729128
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973
6-(tetradecanoylamino)pyridine-3-carboxylic acid
CID 163984429

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide?
The IUPAC name of 4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide (CID 126478002) is 4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide.
What is the SMILES notation for 4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide?
The canonical SMILES for 4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide is O=C(CCCCCNC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cn1.
What is the InChIKey of 4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide?
The InChIKey is CSGWAZQKUSUPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N3O2/c19-14-7-5-13(6-8-14)18(25)21-11-3-1-2-4-17(24)23-16-10-9-15(20)12-22-16/h5-10,12H,1-4,11H2,(H,21,25)(H,22,23,24).
What are the key properties of 4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide?
4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide has a molecular weight of 469.18 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[6-[(5-bromo-2-pyridinyl)amino]-6-oxohexyl]benzamide is sourced from PubChem (CID 126478002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).