N-cyano-N'-(4-methylphenyl)oxamide

C10H9N3O2 — CID 79195305

IUPACN-cyano-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC#N)cc1
InChIInChI=1S/C10H9N3O2/c1-7-2-4-8(5-3-7)13-10(15)9(14)12-6-11/h2-5H,1H3,(H,12,14)(H,13,15)
InChIKeySJDPPNNXWGNMDG-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.53
Rot. Bonds1

About N-cyano-N'-(4-methylphenyl)oxamide

N-cyano-N'-(4-methylphenyl)oxamide (PubChem CID 79195305) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-cyano-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-cyano-N'-(4-methylphenyl)oxamide
PubChem CID79195305
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC NameN-cyano-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC#N)cc1
InChIInChI=1S/C10H9N3O2/c1-7-2-4-8(5-3-7)13-10(15)9(14)12-6-11/h2-5H,1H3,(H,12,14)(H,13,15)
InChIKeySJDPPNNXWGNMDG-UHFFFAOYSA-N
XLogP0.53
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

sodium 1-cyano-3-(4-methylphenyl)thiourea
CID 18351918
N-(4-methylphenyl)prop-2-ynamide
CID 14491742
N-(4-methylphenyl)acetamide
CID 7684
(E)-2-cyano-N-(4-methylphenyl)-3-methylsulfanyl-3-sulfanylprop-2-enamide
CID 11522065
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
N-(4-cyanophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515416
(E)-N-(4-acetamidophenyl)-2-cyano-3-(4-methylphenyl)prop-2-enamide
CID 7945801
(E)-3-(4-acetamidophenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 7911783
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-(4-methylphenyl)oxamide
CID 107847359
(Z)-2-cyano-3-(4-cyanoanilino)-N-(4-methylphenyl)prop-2-enamide
CID 108817306

Frequently Asked Questions

What is the IUPAC name of N-cyano-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-cyano-N'-(4-methylphenyl)oxamide (CID 79195305) is N-cyano-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-cyano-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-cyano-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC#N)cc1.
What is the InChIKey of N-cyano-N'-(4-methylphenyl)oxamide?
The InChIKey is SJDPPNNXWGNMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-2-4-8(5-3-7)13-10(15)9(14)12-6-11/h2-5H,1H3,(H,12,14)(H,13,15).
What are the key properties of N-cyano-N'-(4-methylphenyl)oxamide?
N-cyano-N'-(4-methylphenyl)oxamide has a molecular weight of 203.20 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 79195305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).