3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide

C18H13BrN4O — CID 10249250

IUPAC3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide
SMILESO=C(NN=C(c1ccccn1)c1ccccn1)c1cccc(Br)c1
InChIInChI=1S/C18H13BrN4O/c19-14-7-5-6-13(12-14)18(24)23-22-17(15-8-1-3-10-20-15)16-9-2-4-11-21-16/h1-12H,(H,23,24)
InChIKeyMHYYJQNPVDIVKP-UHFFFAOYSA-N
MW381.23 g/mol
LogP3.42
Rot. Bonds4

About 3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide

3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide (PubChem CID 10249250) has the molecular formula C18H13BrN4O and a molecular weight of 381.23 g/mol. Its IUPAC name is 3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide
PubChem CID10249250
Molecular FormulaC18H13BrN4O
Molecular Weight381.23 g/mol
Exact Mass380.03
IUPAC Name3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide
SMILESO=C(NN=C(c1ccccn1)c1ccccn1)c1cccc(Br)c1
InChIInChI=1S/C18H13BrN4O/c19-14-7-5-6-13(12-14)18(24)23-22-17(15-8-1-3-10-20-15)16-9-2-4-11-21-16/h1-12H,(H,23,24)
InChIKeyMHYYJQNPVDIVKP-UHFFFAOYSA-N
XLogP3.42
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide?
The IUPAC name of 3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide (CID 10249250) is 3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide.
What is the SMILES notation for 3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide?
The canonical SMILES for 3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide is O=C(NN=C(c1ccccn1)c1ccccn1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide?
The InChIKey is MHYYJQNPVDIVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4O/c19-14-7-5-6-13(12-14)18(24)23-22-17(15-8-1-3-10-20-15)16-9-2-4-11-21-16/h1-12H,(H,23,24).
What are the key properties of 3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide?
3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide has a molecular weight of 381.23 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(dipyridin-2-ylmethylideneamino)benzamide is sourced from PubChem (CID 10249250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).