5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide

C15H13Br2N3O3 — CID 3743502

IUPAC5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCc1c(O)c(Br)c(C)c(C=NNC(=O)c2cncc(Br)c2)c1O
InChIInChI=1S/C15H13Br2N3O3/c1-7-11(13(21)8(2)14(22)12(7)17)6-19-20-15(23)9-3-10(16)5-18-4-9/h3-6,21-22H,1-2H3,(H,20,23)
InChIKeyAWAWUVZKIXFFNW-UHFFFAOYSA-N
MW443.10 g/mol
LogP3.40
Rot. Bonds3

About 5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 3743502) has the molecular formula C15H13Br2N3O3 and a molecular weight of 443.10 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID3743502
Molecular FormulaC15H13Br2N3O3
Molecular Weight443.10 g/mol
Exact Mass440.93
IUPAC Name5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCc1c(O)c(Br)c(C)c(C=NNC(=O)c2cncc(Br)c2)c1O
InChIInChI=1S/C15H13Br2N3O3/c1-7-11(13(21)8(2)14(22)12(7)17)6-19-20-15(23)9-3-10(16)5-18-4-9/h3-6,21-22H,1-2H3,(H,20,23)
InChIKeyAWAWUVZKIXFFNW-UHFFFAOYSA-N
XLogP3.40
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.10
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136882425
5-bromo-N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 51042921
5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
CID 6311396
5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
5-bromo-N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 3288788
5-bromo-N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136792612
5-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136739125
5-bromo-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 135643230
5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136794132
5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
CID 3599810
5-bromo-N-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1381873
5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 1381844

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide (CID 3743502) is 5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide is Cc1c(O)c(Br)c(C)c(C=NNC(=O)c2cncc(Br)c2)c1O.
What is the InChIKey of 5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is AWAWUVZKIXFFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2N3O3/c1-7-11(13(21)8(2)14(22)12(7)17)6-19-20-15(23)9-3-10(16)5-18-4-9/h3-6,21-22H,1-2H3,(H,20,23).
What are the key properties of 5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 443.10 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromo-2,4-dihydroxy-3,6-dimethylphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3743502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).