N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide

C14H12BrN3O2 — CID 135643394

IUPACN-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCc1cc(Br)cc(/C=N/NC(=O)c2ccncc2)c1O
InChIInChI=1S/C14H12BrN3O2/c1-9-6-12(15)7-11(13(9)19)8-17-18-14(20)10-2-4-16-5-3-10/h2-8,19H,1H3,(H,18,20)/b17-8+
InChIKeyUCZQULYDKGPBTI-CAOOACKPSA-N
MW334.17 g/mol
LogP2.62
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 135643394) 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-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID135643394
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC NameN-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCc1cc(Br)cc(/C=N/NC(=O)c2ccncc2)c1O
InChIInChI=1S/C14H12BrN3O2/c1-9-6-12(15)7-11(13(9)19)8-17-18-14(20)10-2-4-16-5-3-10/h2-8,19H,1H3,(H,18,20)/b17-8+
InChIKeyUCZQULYDKGPBTI-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

4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 172960317
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 135505377
N-[(2-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690992
4-bromo-N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
CID 172964888
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 136858289
N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135478100
N-[2-[2-[(5-bromo-2-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-chlorobenzamide
CID 4620256
[2,4-dibromo-6-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-methylbenzoate
CID 6058825
4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 135458900
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide (CID 135643394) is N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide is Cc1cc(Br)cc(/C=N/NC(=O)c2ccncc2)c1O.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is UCZQULYDKGPBTI-CAOOACKPSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-9-6-12(15)7-11(13(9)19)8-17-18-14(20)10-2-4-16-5-3-10/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-4-carboxamide?
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 135643394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).