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

C14H15N3O4 — CID 11449112

IUPACN-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(OC)c(-c2ccc(C(=O)N=C(N)N)o2)c1
InChIInChI=1S/C14H15N3O4/c1-19-8-3-4-10(20-2)9(7-8)11-5-6-12(21-11)13(18)17-14(15)16/h3-7H,1-2H3,(H4,15,16,17,18)
InChIKeyZIEMGPZWWYAHGA-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.38
Rot. Bonds4

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

N-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 11449112) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide
PubChem CID11449112
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1ccc(OC)c(-c2ccc(C(=O)N=C(N)N)o2)c1
InChIInChI=1S/C14H15N3O4/c1-19-8-3-4-10(20-2)9(7-8)11-5-6-12(21-11)13(18)17-14(15)16/h3-7H,1-2H3,(H4,15,16,17,18)
InChIKeyZIEMGPZWWYAHGA-UHFFFAOYSA-N
XLogP1.38
TPSA113.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide (CID 11449112) is N-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide is COc1ccc(OC)c(-c2ccc(C(=O)N=C(N)N)o2)c1.
What is the InChIKey of N-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide?
The InChIKey is ZIEMGPZWWYAHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-19-8-3-4-10(20-2)9(7-8)11-5-6-12(21-11)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-dimethoxyphenyl)furan-2-carboxamide?
N-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-5-(2,5-dimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 11449112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).