N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

C15H12Br2N4O3 — CID 135829860

IUPACN-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1)N/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2N4O3/c16-11-4-9(5-12(17)14(11)23)6-20-21-13(22)8-19-15(24)10-2-1-3-18-7-10/h1-7,23H,8H2,(H,19,24)(H,21,22)/b20-6+
InChIKeyCJBXGEFNZLDHTR-CGOBSMCZSA-N
MW456.09 g/mol
LogP2.19
Rot. Bonds5

About N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 135829860) has the molecular formula C15H12Br2N4O3 and a molecular weight of 456.09 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID135829860
Molecular FormulaC15H12Br2N4O3
Molecular Weight456.09 g/mol
Exact Mass453.93
IUPAC NameN-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1)N/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2N4O3/c16-11-4-9(5-12(17)14(11)23)6-20-21-13(22)8-19-15(24)10-2-1-3-18-7-10/h1-7,23H,8H2,(H,19,24)(H,21,22)/b20-6+
InChIKeyCJBXGEFNZLDHTR-CGOBSMCZSA-N
XLogP2.19
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.09
LogP ≤ 52.19
H-Bond Donors ≤ 53
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

7-((2-(3,5-Dibromo-4-hydroxyphenyl)ethyl)amino)-5,8-quinolinedione
CID 381594
N'-[(1e)-(3,5-Dibromo-2,4-Dihydroxyphenyl)methylene]nicotinohydrazide
CID 135459112
6-Methyl-nicotinic acid (5-bromo-2-hydroxy-benzylidene)-hydrazide
CID 135533022
Nicotinamide, N-(2,4-dihydroxybenzylidenehydrazinocarbonylmethyl)-
CID 135635735
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 135460548
Nicotinic acid (2-bromo-5-hydroxy-benzylidene)-hydrazide
CID 9563418
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135428734
(E)-N'-(3,5-Dibromo-2-hydroxybenzylidene)nicotinohydrazide
CID 135512059
N'-(5-Bromo-2-hydroxybenzylidene)-2-pyridinecarbohydrazide
CID 135588610
Nicotinic acid (3,5-dibromo-4-hydroxy-benzylidene)-hydrazide
CID 135533190
4-Hydroxybenzaldehyde nicotinoyl hydrazone
CID 135483803
N-{2-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazino]-2-oxoethyl}isonicotinamide
CID 135517013

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (CID 135829860) is N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is O=C(CNC(=O)c1cccnc1)N/N=C/c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is CJBXGEFNZLDHTR-CGOBSMCZSA-N. The full InChI is InChI=1S/C15H12Br2N4O3/c16-11-4-9(5-12(17)14(11)23)6-20-21-13(22)8-19-15(24)10-2-1-3-18-7-10/h1-7,23H,8H2,(H,19,24)(H,21,22)/b20-6+.
What are the key properties of N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 456.09 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 135829860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).