N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide

C14H12BrN3O2 — CID 135505377

IUPACN-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCc1cc(Br)cc(/C=N/NC(=O)c2ccccn2)c1O
InChIInChI=1S/C14H12BrN3O2/c1-9-6-11(15)7-10(13(9)19)8-17-18-14(20)12-4-2-3-5-16-12/h2-8,19H,1H3,(H,18,20)/b17-8+
InChIKeyFHATTZZCODIWNX-CAOOACKPSA-N
MW334.17 g/mol
LogP2.62
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide

N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 135505377) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID135505377
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide
SMILESCc1cc(Br)cc(/C=N/NC(=O)c2ccccn2)c1O
InChIInChI=1S/C14H12BrN3O2/c1-9-6-11(15)7-10(13(9)19)8-17-18-14(20)12-4-2-3-5-16-12/h2-8,19H,1H3,(H,18,20)/b17-8+
InChIKeyFHATTZZCODIWNX-CAOOACKPSA-N
XLogP2.62
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136794117
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135643394
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5411322
4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 172960317
N-[(2-bromophenyl)methylideneamino]pyridine-2-carboxamide
CID 760228
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 136750100
4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
CID 172964888
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135688686
N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6866321
N-[(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
CID 847584
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 136863964

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide (CID 135505377) is N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide is Cc1cc(Br)cc(/C=N/NC(=O)c2ccccn2)c1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is FHATTZZCODIWNX-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-9-6-11(15)7-10(13(9)19)8-17-18-14(20)12-4-2-3-5-16-12/h2-8,19H,1H3,(H,18,20)/b17-8+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide?
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 135505377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).