N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide

C19H15N3O3 — CID 70058552

IUPACN-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide
SMILESNN=Cc1ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1
InChIInChI=1S/C19H15N3O3/c20-21-10-12-1-2-14-8-15(4-3-13(14)7-12)19(23)22-16-5-6-17-18(9-16)25-11-24-17/h1-10H,11,20H2,(H,22,23)
InChIKeyUPLPZGYIEWRZBJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.11
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide

N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide (PubChem CID 70058552) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide
PubChem CID70058552
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide
SMILESNN=Cc1ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1
InChIInChI=1S/C19H15N3O3/c20-21-10-12-1-2-14-8-15(4-3-13(14)7-12)19(23)22-16-5-6-17-18(9-16)25-11-24-17/h1-10H,11,20H2,(H,22,23)
InChIKeyUPLPZGYIEWRZBJ-UHFFFAOYSA-N
XLogP3.11
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403
N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide
CID 70059760
3-benzamido-N-(1,3-benzodioxol-5-ylmethylideneamino)benzamide
CID 71960327
N-(1,3-benzodioxol-5-yl)-N'-(1,3-benzodioxol-5-ylmethylideneamino)oxamide
CID 3937826
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-(3-amino-4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16775406
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 24699163
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135642296
N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
CID 20630879

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide (CID 70058552) is N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide is NN=Cc1ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide?
The InChIKey is UPLPZGYIEWRZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c20-21-10-12-1-2-14-8-15(4-3-13(14)7-12)19(23)22-16-5-6-17-18(9-16)25-11-24-17/h1-10H,11,20H2,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-methanehydrazonoylnaphthalene-2-carboxamide is sourced from PubChem (CID 70058552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).