N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide

C14H15N3O2 — CID 11230628

IUPACN-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(C)c(-c2ccc(C(=O)N=C(N)N)o2)c1
InChIInChI=1S/C14H15N3O2/c1-8-3-4-9(2)10(7-8)11-5-6-12(19-11)13(18)17-14(15)16/h3-7H,1-2H3,(H4,15,16,17,18)
InChIKeyXDPDCJJAFHVZKW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.98
Rot. Bonds2

About N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide

N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide (PubChem CID 11230628) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide
PubChem CID11230628
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide
SMILESCc1ccc(C)c(-c2ccc(C(=O)N=C(N)N)o2)c1
InChIInChI=1S/C14H15N3O2/c1-8-3-4-9(2)10(7-8)11-5-6-12(19-11)13(18)17-14(15)16/h3-7H,1-2H3,(H4,15,16,17,18)
InChIKeyXDPDCJJAFHVZKW-UHFFFAOYSA-N
XLogP1.98
TPSA94.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide (CID 11230628) is N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide is Cc1ccc(C)c(-c2ccc(C(=O)N=C(N)N)o2)c1.
What is the InChIKey of N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide?
The InChIKey is XDPDCJJAFHVZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-3-4-9(2)10(7-8)11-5-6-12(19-11)13(18)17-14(15)16/h3-7H,1-2H3,(H4,15,16,17,18).
What are the key properties of N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide?
N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-(2,5-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 11230628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).