N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

C16H15BrN4O3 — CID 6880817

IUPACN-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1cccnc1
InChIInChI=1S/C16H15BrN4O3/c1-24-14-5-4-13(17)7-12(14)9-20-21-15(22)10-19-16(23)11-3-2-6-18-8-11/h2-9H,10H2,1H3,(H,19,23)(H,21,22)/b20-9+
InChIKeyVNUTXXMMIMPVFT-AWQFTUOYSA-N
MW391.23 g/mol
LogP1.73
Rot. Bonds6

About N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 6880817) has the molecular formula C16H15BrN4O3 and a molecular weight of 391.23 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID6880817
Molecular FormulaC16H15BrN4O3
Molecular Weight391.23 g/mol
Exact Mass390.03
IUPAC NameN-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCOc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1cccnc1
InChIInChI=1S/C16H15BrN4O3/c1-24-14-5-4-13(17)7-12(14)9-20-21-15(22)10-19-16(23)11-3-2-6-18-8-11/h2-9H,10H2,1H3,(H,19,23)(H,21,22)/b20-9+
InChIKeyVNUTXXMMIMPVFT-AWQFTUOYSA-N
XLogP1.73
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 5207082
3-bromo-N-[2-[(2E)-2-[(5-bromo-2-propoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 51061124
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135781803
N-[(5-chloro-2-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 689201
2-anilino-N-[(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 2824721
N-[2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]decanamide
CID 6142119
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 97034194
3-methoxy-N-[2-oxo-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
CID 6881848
3-bromo-N-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3871550
N-[2-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
CID 5178952
[4-bromo-2-[[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3829327
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135428734

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide (CID 6880817) is N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is COc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1cccnc1.
What is the InChIKey of N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is VNUTXXMMIMPVFT-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H15BrN4O3/c1-24-14-5-4-13(17)7-12(14)9-20-21-15(22)10-19-16(23)11-3-2-6-18-8-11/h2-9H,10H2,1H3,(H,19,23)(H,21,22)/b20-9+.
What are the key properties of N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 391.23 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 6880817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).