N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide

C21H20N4O3 — CID 46496021

IUPACN-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccccn1
InChIInChI=1S/C21H20N4O3/c1-2-28-19-11-10-15-7-3-4-8-16(15)17(19)13-24-25-20(26)14-23-21(27)18-9-5-6-12-22-18/h3-13H,2,14H2,1H3,(H,23,27)(H,25,26)/b24-13-
InChIKeyGZMGJOAPBJCITK-CFRMEGHHSA-N
MW376.42 g/mol
LogP2.51
Rot. Bonds7

About N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide

N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 46496021) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID46496021
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
SMILESCCOc1ccc2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccccn1
InChIInChI=1S/C21H20N4O3/c1-2-28-19-11-10-15-7-3-4-8-16(15)17(19)13-24-25-20(26)14-23-21(27)18-9-5-6-12-22-18/h3-13H,2,14H2,1H3,(H,23,27)(H,25,26)/b24-13-
InChIKeyGZMGJOAPBJCITK-CFRMEGHHSA-N
XLogP2.51
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.51
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-[(2E)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6881851
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6881664
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-5-ethylpyridine-2-carboxamide
CID 6872223
[1-[[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 3861731
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-2-carboxamide
CID 135504405
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 8932118
N-[2-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 135679036
[1-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6270757
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208863
N-[2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6321510
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 135733837

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide (CID 46496021) is N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide is CCOc1ccc2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccccn1.
What is the InChIKey of N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is GZMGJOAPBJCITK-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-28-19-11-10-15-7-3-4-8-16(15)17(19)13-24-25-20(26)14-23-21(27)18-9-5-6-12-22-18/h3-13H,2,14H2,1H3,(H,23,27)(H,25,26)/b24-13-.
What are the key properties of N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide?
N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 46496021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).