N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide

C14H11Br2N3O2 — CID 135643416

IUPACN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cn1
InChIInChI=1S/C14H11Br2N3O2/c1-8-2-3-10(7-17-8)14(21)19-18-6-9-4-11(15)13(20)12(16)5-9/h2-7,20H,1H3,(H,19,21)/b18-6-
InChIKeyXBTQOMUWWQYJFZ-FXBPXSCXSA-N
MW413.07 g/mol
LogP3.38
Rot. Bonds3

About N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide

N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide (PubChem CID 135643416) has the molecular formula C14H11Br2N3O2 and a molecular weight of 413.07 g/mol. Its IUPAC name is N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
PubChem CID135643416
Molecular FormulaC14H11Br2N3O2
Molecular Weight413.07 g/mol
Exact Mass410.92
IUPAC NameN-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cn1
InChIInChI=1S/C14H11Br2N3O2/c1-8-2-3-10(7-17-8)14(21)19-18-6-9-4-11(15)13(20)12(16)5-9/h2-7,20H,1H3,(H,19,21)/b18-6-
InChIKeyXBTQOMUWWQYJFZ-FXBPXSCXSA-N
XLogP3.38
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N-[(Z)-benzylideneamino]-6-methylpyridine-3-carboxamide
CID 5370943
6-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]pyridine-3-carboxamide
CID 5370944
N-[(4-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 583796
N-[(4-hydroxy-3-iodophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3531966
4-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136789352
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578986
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
N-[(Z)-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135643431
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5370945
4-bromo-N-[(E)-(3-bromo-4-hydroxy-5-methylphenyl)methylideneamino]-3-methylbenzamide
CID 145487242

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide (CID 135643416) is N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)cn1.
What is the InChIKey of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
The InChIKey is XBTQOMUWWQYJFZ-FXBPXSCXSA-N. The full InChI is InChI=1S/C14H11Br2N3O2/c1-8-2-3-10(7-17-8)14(21)19-18-6-9-4-11(15)13(20)12(16)5-9/h2-7,20H,1H3,(H,19,21)/b18-6-.
What are the key properties of N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide?
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide has a molecular weight of 413.07 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 135643416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).