N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide

C14H15N3O4 — CID 11312289

IUPACN-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N=C(N)N)o2)c1OC
InChIInChI=1S/C14H15N3O4/c1-19-10-5-3-4-8(12(10)20-2)9-6-7-11(21-9)13(18)17-14(15)16/h3-7H,1-2H3,(H4,15,16,17,18)
InChIKeyFXQJXLBJHQMISO-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.38
Rot. Bonds4

About N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide

N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 11312289) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide
PubChem CID11312289
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N=C(N)N)o2)c1OC
InChIInChI=1S/C14H15N3O4/c1-19-10-5-3-4-8(12(10)20-2)9-6-7-11(21-9)13(18)17-14(15)16/h3-7H,1-2H3,(H4,15,16,17,18)
InChIKeyFXQJXLBJHQMISO-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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Related Compounds

[3-(2,3-dimethoxyphenyl)phenyl]methyl acetate
CID 175266062
N-(diaminomethylidene)-2-(2,3-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide;methanesulfonic acid
CID 25011780
5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine
CID 157018296
N-(diaminomethylidene)-1,4-dimethoxynaphthalene-2-carboxamide
CID 15940938
N-[N'-[[amino-[[5-(2-methoxyphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 173108252
2,3-dimethoxybenzamide;hydrate
CID 141005510
2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 127031650
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
CID 172643077
N-[[5-(2,3-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106887909
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
2-[[5-(2-methoxyphenyl)furan-2-yl]methylideneamino]acetamide
CID 148883740
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide (CID 11312289) is N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide is COc1cccc(-c2ccc(C(=O)N=C(N)N)o2)c1OC.
What is the InChIKey of N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide?
The InChIKey is FXQJXLBJHQMISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-19-10-5-3-4-8(12(10)20-2)9-6-7-11(21-9)13(18)17-14(15)16/h3-7H,1-2H3,(H4,15,16,17,18).
What are the key properties of N-(diaminomethylidene)-5-(2,3-dimethoxyphenyl)furan-2-carboxamide?
N-(diaminomethylidene)-5-(2,3-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-(2,3-dimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 11312289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).