N-(cyanomethyl)-2,5-dihydroxybenzamide

C9H8N2O3 — CID 103892329

IUPACN-(cyanomethyl)-2,5-dihydroxybenzamide
SMILESN#CCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C9H8N2O3/c10-3-4-11-9(14)7-5-6(12)1-2-8(7)13/h1-2,5,12-13H,4H2,(H,11,14)
InChIKeyKUFKUGYDTCAGPK-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.35
Rot. Bonds2

About N-(cyanomethyl)-2,5-dihydroxybenzamide

N-(cyanomethyl)-2,5-dihydroxybenzamide (PubChem CID 103892329) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is N-(cyanomethyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2,5-dihydroxybenzamide
PubChem CID103892329
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC NameN-(cyanomethyl)-2,5-dihydroxybenzamide
SMILESN#CCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C9H8N2O3/c10-3-4-11-9(14)7-5-6(12)1-2-8(7)13/h1-2,5,12-13H,4H2,(H,11,14)
InChIKeyKUFKUGYDTCAGPK-UHFFFAOYSA-N
XLogP0.35
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-2,5-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
2,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 107723898
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
methyl 4-[(2,5-dihydroxybenzoyl)amino]butanoate
CID 67654054
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 107722175
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 62668483
N-(2-cyanobutan-2-yl)-2,5-dihydroxybenzamide
CID 107721985
N-[4-[3-[(2,5-dihydroxybenzoyl)amino]propylamino]butyl]-2,5-dihydroxybenzamide
CID 57339218
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
CID 107723701

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(cyanomethyl)-2,5-dihydroxybenzamide (CID 103892329) is N-(cyanomethyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(cyanomethyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(cyanomethyl)-2,5-dihydroxybenzamide is N#CCNC(=O)c1cc(O)ccc1O.
What is the InChIKey of N-(cyanomethyl)-2,5-dihydroxybenzamide?
The InChIKey is KUFKUGYDTCAGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-3-4-11-9(14)7-5-6(12)1-2-8(7)13/h1-2,5,12-13H,4H2,(H,11,14).
What are the key properties of N-(cyanomethyl)-2,5-dihydroxybenzamide?
N-(cyanomethyl)-2,5-dihydroxybenzamide has a molecular weight of 192.17 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 103892329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).