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

C15H13BrN4O3 — CID 135517013

IUPACN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(CNC(=O)c1ccncc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H13BrN4O3/c16-12-1-2-13(21)11(7-12)8-19-20-14(22)9-18-15(23)10-3-5-17-6-4-10/h1-8,21H,9H2,(H,18,23)(H,20,22)/b19-8+
InChIKeyKAIXKRWLJPOZSS-UFWORHAWSA-N
MW377.20 g/mol
LogP1.43
Rot. Bonds5

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

N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 135517013) has the molecular formula C15H13BrN4O3 and a molecular weight of 377.20 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
PubChem CID135517013
Molecular FormulaC15H13BrN4O3
Molecular Weight377.20 g/mol
Exact Mass376.02
IUPAC NameN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(CNC(=O)c1ccncc1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H13BrN4O3/c16-12-1-2-13(21)11(7-12)8-19-20-14(22)9-18-15(23)10-3-5-17-6-4-10/h1-8,21H,9H2,(H,18,23)(H,20,22)/b19-8+
InChIKeyKAIXKRWLJPOZSS-UFWORHAWSA-N
XLogP1.43
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 51.43
H-Bond Donors ≤ 53
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

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N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide
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5-Bromo-2-hydroxy-N'-[(E)-(6-methylpyridin-2-YL)methylidene]benzohydrazide
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N-[1-(2-hydroxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 235705

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide (CID 135517013) is N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is O=C(CNC(=O)c1ccncc1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is KAIXKRWLJPOZSS-UFWORHAWSA-N. The full InChI is InChI=1S/C15H13BrN4O3/c16-12-1-2-13(21)11(7-12)8-19-20-14(22)9-18-15(23)10-3-5-17-6-4-10/h1-8,21H,9H2,(H,18,23)(H,20,22)/b19-8+.
What are the key properties of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide?
N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 377.20 g/mol, XLogP of 1.43, 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-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 135517013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).