5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide

C15H13Br2N3O3 — CID 3288788

IUPAC5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cncc(Br)c2)cc(Br)c1O
InChIInChI=1S/C15H13Br2N3O3/c1-2-23-13-4-9(3-12(17)14(13)21)6-19-20-15(22)10-5-11(16)8-18-7-10/h3-8,21H,2H2,1H3,(H,20,22)
InChIKeyZTHDNGMFHYOMPC-UHFFFAOYSA-N
MW443.10 g/mol
LogP3.47
Rot. Bonds5

About 5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 3288788) has the molecular formula C15H13Br2N3O3 and a molecular weight of 443.10 g/mol. Its IUPAC name is 5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID3288788
Molecular FormulaC15H13Br2N3O3
Molecular Weight443.10 g/mol
Exact Mass440.93
IUPAC Name5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cncc(Br)c2)cc(Br)c1O
InChIInChI=1S/C15H13Br2N3O3/c1-2-23-13-4-9(3-12(17)14(13)21)6-19-20-15(22)10-5-11(16)8-18-7-10/h3-8,21H,2H2,1H3,(H,20,22)
InChIKeyZTHDNGMFHYOMPC-UHFFFAOYSA-N
XLogP3.47
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.10
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1381873
4-amino-N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135852604
[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]urea
CID 135851177
methyl N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]carbamate
CID 135852617
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxy-3-methoxybenzamide
CID 137068504
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 136807813
N'-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135433204
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 137122703
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135420141
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 137160405
N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 3324384
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 137035489

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 3288788) is 5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is CCOc1cc(C=NNC(=O)c2cncc(Br)c2)cc(Br)c1O.
What is the InChIKey of 5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is ZTHDNGMFHYOMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N3O3/c1-2-23-13-4-9(3-12(17)14(13)21)6-19-20-15(22)10-5-11(16)8-18-7-10/h3-8,21H,2H2,1H3,(H,20,22).
What are the key properties of 5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 443.10 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3288788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).