[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate

C23H16N4O3 — CID 6291991

IUPAC[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
SMILESO=C(N/N=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cnccn1
InChIInChI=1S/C23H16N4O3/c28-22(21-15-24-12-13-25-21)27-26-14-16-8-10-18(11-9-16)30-23(29)20-7-3-5-17-4-1-2-6-19(17)20/h1-15H,(H,27,28)/b26-14-
InChIKeyJYULEMOGZBFGJJ-WGARJPEWSA-N
MW396.41 g/mol
LogP3.61
Rot. Bonds5

About [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate

[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate (PubChem CID 6291991) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
PubChem CID6291991
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
SMILESO=C(N/N=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cnccn1
InChIInChI=1S/C23H16N4O3/c28-22(21-15-24-12-13-25-21)27-26-14-16-8-10-18(11-9-16)30-23(29)20-7-3-5-17-4-1-2-6-19(17)20/h1-15H,(H,27,28)/b26-14-
InChIKeyJYULEMOGZBFGJJ-WGARJPEWSA-N
XLogP3.61
TPSA93.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 4090058
N-[(4-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 760521
[4-[(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 4077359
N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 6116232
[4-[[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3499826
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3688388
[4-[[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3481729
[4-[[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 5006155
N-[(E)-(3-ethoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 44613929
[4-[(Z)-[[2-[(3-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 6271935
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide;hydrate
CID 139074065
[4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 3667207

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate?
The IUPAC name of [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate (CID 6291991) is [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate.
What is the SMILES notation for [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate?
The canonical SMILES for [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate is O=C(N/N=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cnccn1.
What is the InChIKey of [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate?
The InChIKey is JYULEMOGZBFGJJ-WGARJPEWSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-22(21-15-24-12-13-25-21)27-26-14-16-8-10-18(11-9-16)30-23(29)20-7-3-5-17-4-1-2-6-19(17)20/h1-15H,(H,27,28)/b26-14-.
What are the key properties of [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate?
[4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate has a molecular weight of 396.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(pyrazine-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate is sourced from PubChem (CID 6291991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).