N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

C15H13Br2N3O3 — CID 4518563

IUPACN-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCCOc1cc(Br)c(Br)c(C=NNC(=O)c2ccncc2)c1O
InChIInChI=1S/C15H13Br2N3O3/c1-2-23-12-7-11(16)13(17)10(14(12)21)8-19-20-15(22)9-3-5-18-6-4-9/h3-8,21H,2H2,1H3,(H,20,22)
InChIKeyUXEZAWCPEWHTJY-UHFFFAOYSA-N
MW443.10 g/mol
LogP3.47
Rot. Bonds5

About N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 4518563) has the molecular formula C15H13Br2N3O3 and a molecular weight of 443.10 g/mol. Its IUPAC name is N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID4518563
Molecular FormulaC15H13Br2N3O3
Molecular Weight443.10 g/mol
Exact Mass440.93
IUPAC NameN-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCCOc1cc(Br)c(Br)c(C=NNC(=O)c2ccncc2)c1O
InChIInChI=1S/C15H13Br2N3O3/c1-2-23-12-7-11(16)13(17)10(14(12)21)8-19-20-15(22)9-3-5-18-6-4-9/h3-8,21H,2H2,1H3,(H,20,22)
InChIKeyUXEZAWCPEWHTJY-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_A(479)', '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)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 139301914
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 135562273
N-[(E)-(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578986
4-amino-N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 135852604
N-[(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 3611587
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135604377
4-bromo-N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135642919
N-[(Z)-(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135891670

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 4518563) is N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is CCOc1cc(Br)c(Br)c(C=NNC(=O)c2ccncc2)c1O.
What is the InChIKey of N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is UXEZAWCPEWHTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N3O3/c1-2-23-12-7-11(16)13(17)10(14(12)21)8-19-20-15(22)9-3-5-18-6-4-9/h3-8,21H,2H2,1H3,(H,20,22).
What are the key properties of N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-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 N-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 4518563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).