3-amino-5-(methylideneamino)benzamide

C8H9N3O — CID 163443959

IUPAC3-amino-5-(methylideneamino)benzamide
SMILESC=Nc1cc(N)cc(C(N)=O)c1
InChIInChI=1S/C8H9N3O/c1-11-7-3-5(8(10)12)2-6(9)4-7/h2-4H,1,9H2,(H2,10,12)
InChIKeyBAXNRELTKMYJQE-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.70
Rot. Bonds2

About 3-amino-5-(methylideneamino)benzamide

3-amino-5-(methylideneamino)benzamide (PubChem CID 163443959) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-amino-5-(methylideneamino)benzamide.

Molecular Properties

Compound Name3-amino-5-(methylideneamino)benzamide
PubChem CID163443959
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-amino-5-(methylideneamino)benzamide
SMILESC=Nc1cc(N)cc(C(N)=O)c1
InChIInChI=1S/C8H9N3O/c1-11-7-3-5(8(10)12)2-6(9)4-7/h2-4H,1,9H2,(H2,10,12)
InChIKeyBAXNRELTKMYJQE-UHFFFAOYSA-N
XLogP0.70
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

azanium 3-amino-5-carbamoylbenzoate
CID 135371031
3-amino-5-azidobenzoic acid
CID 102105505
[amino-[3-amino-5-[amino(azaniumylidene)methyl]phenyl]methylidene]azanium
CID 7084133
benzene-1,2-diamine;benzene-1,3,5-tricarboxamide
CID 67830844
3,5-diaminobenzoic acid;hydrochloride
CID 43835047
5-aminobenzene-1,3-dicarboxylic acid;zinc
CID 174938502
3,5-bis(sulfanyl)benzamide
CID 22988615
5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide
CID 86337510
3-amino-5-(4,4-difluoropiperidine-1-carbonyl)benzamide
CID 171662837
4-aminobenzamide;methanol
CID 144801245
disodium;5-aminobenzene-1,3-dicarboxylic acid;hydride
CID 173081060
4-[(Z)-N'-[(Z)-[(4-carbamoylphenyl)-(methylideneamino)methylidene]amino]carbamimidoyl]benzamide
CID 89216740

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(methylideneamino)benzamide?
The IUPAC name of 3-amino-5-(methylideneamino)benzamide (CID 163443959) is 3-amino-5-(methylideneamino)benzamide.
What is the SMILES notation for 3-amino-5-(methylideneamino)benzamide?
The canonical SMILES for 3-amino-5-(methylideneamino)benzamide is C=Nc1cc(N)cc(C(N)=O)c1.
What is the InChIKey of 3-amino-5-(methylideneamino)benzamide?
The InChIKey is BAXNRELTKMYJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-7-3-5(8(10)12)2-6(9)4-7/h2-4H,1,9H2,(H2,10,12).
What are the key properties of 3-amino-5-(methylideneamino)benzamide?
3-amino-5-(methylideneamino)benzamide has a molecular weight of 163.18 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(methylideneamino)benzamide is sourced from PubChem (CID 163443959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).