N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide

C20H19N3O3 — CID 70059760

IUPACN-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3cc(C=NN)ccc3c2)cc(OC)c1
InChIInChI=1S/C20H19N3O3/c1-25-18-9-17(10-19(11-18)26-2)23-20(24)16-6-5-14-7-13(12-22-21)3-4-15(14)8-16/h3-12H,21H2,1-2H3,(H,23,24)
InChIKeySQICQBGFUKOFIR-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.40
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide

N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide (PubChem CID 70059760) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide
PubChem CID70059760
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3cc(C=NN)ccc3c2)cc(OC)c1
InChIInChI=1S/C20H19N3O3/c1-25-18-9-17(10-19(11-18)26-2)23-20(24)16-6-5-14-7-13(12-22-21)3-4-15(14)8-16/h3-12H,21H2,1-2H3,(H,23,24)
InChIKeySQICQBGFUKOFIR-UHFFFAOYSA-N
XLogP3.40
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.40
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-(3,5-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059612
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
2-fluoro-4-methanehydrazonoyl-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide;hydrochloride
CID 86589997
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
CID 103706313
(E)-N-(3,5-dimethoxyphenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 9192243
N-[3-chloro-5-[(4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 68786791
1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
(3,5-dimethoxyphenyl)methylidenehydrazine
CID 131871774

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide (CID 70059760) is N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide is COc1cc(NC(=O)c2ccc3cc(C=NN)ccc3c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide?
The InChIKey is SQICQBGFUKOFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-18-9-17(10-19(11-18)26-2)23-20(24)16-6-5-14-7-13(12-22-21)3-4-15(14)8-16/h3-12H,21H2,1-2H3,(H,23,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide?
N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-6-methanehydrazonoylnaphthalene-2-carboxamide is sourced from PubChem (CID 70059760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).