3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide

C10H10N4O2 — CID 146508171

IUPAC3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide
SMILESCc1c(C#N)ccc(O)c1C(=O)N=C(N)N
InChIInChI=1S/C10H10N4O2/c1-5-6(4-11)2-3-7(15)8(5)9(16)14-10(12)13/h2-3,15H,1H3,(H4,12,13,14,16)
InChIKeyYSJRFRGYVWIPHK-UHFFFAOYSA-N
MW218.22 g/mol
LogP-0.01
Rot. Bonds1

About 3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide

3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide (PubChem CID 146508171) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide.

Molecular Properties

Compound Name3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide
PubChem CID146508171
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide
SMILESCc1c(C#N)ccc(O)c1C(=O)N=C(N)N
InChIInChI=1S/C10H10N4O2/c1-5-6(4-11)2-3-7(15)8(5)9(16)14-10(12)13/h2-3,15H,1H3,(H4,12,13,14,16)
InChIKeyYSJRFRGYVWIPHK-UHFFFAOYSA-N
XLogP-0.01
TPSA125.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-cyano-N-(diaminomethylidene)-6-hydroxy-2-(propan-2-ylamino)benzamide
CID 146508024
3-cyano-N-(diaminomethylidene)-2-(3,5-dichlorophenyl)-6-hydroxybenzamide
CID 146508042
3-cyano-N-(diaminomethylidene)-2-(3-fluoro-2-methoxyphenyl)-6-hydroxybenzamide
CID 146508148
3-cyano-N-(diaminomethylidene)-2-(2,3-difluorophenyl)-6-hydroxybenzamide
CID 147907702
2-(2-chloro-3-fluorophenyl)-3-cyano-N-(diaminomethylidene)-6-hydroxybenzamide
CID 146508038
2-(3-chloro-2-fluorophenyl)-3-cyano-N-(diaminomethylidene)-6-hydroxybenzamide
CID 146508033
3-cyano-N-(diaminomethylidene)-2-(3-fluorophenoxy)-6-hydroxybenzamide
CID 146507998
3-cyano-N-(diaminomethylidene)-2-[2-fluoro-5-(trifluoromethyl)phenyl]-6-hydroxybenzamide
CID 146507956
3-cyano-6-methoxy-2-methylbenzamide
CID 171026852
3-cyano-N-(diaminomethylidene)-4-methoxybenzamide
CID 23195916
N-(diaminomethylidene)-2-hydroxynaphthalene-1-carboxamide;hydrate;hydrochloride
CID 22447281
3-acetyl-2-chloro-4-hydroxybenzonitrile
CID 171008953

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide?
The IUPAC name of 3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide (CID 146508171) is 3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide.
What is the SMILES notation for 3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide?
The canonical SMILES for 3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide is Cc1c(C#N)ccc(O)c1C(=O)N=C(N)N.
What is the InChIKey of 3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide?
The InChIKey is YSJRFRGYVWIPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-5-6(4-11)2-3-7(15)8(5)9(16)14-10(12)13/h2-3,15H,1H3,(H4,12,13,14,16).
What are the key properties of 3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide?
3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide has a molecular weight of 218.22 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(diaminomethylidene)-6-hydroxy-2-methylbenzamide is sourced from PubChem (CID 146508171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).