N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

C18H19N3O2 — CID 2710539

IUPACN-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCCc1cccc2c(C=NNC(=O)c3cc(C)oc3C)c[nH]c12
InChIInChI=1S/C18H19N3O2/c1-4-13-6-5-7-15-14(9-19-17(13)15)10-20-21-18(22)16-8-11(2)23-12(16)3/h5-10,19H,4H2,1-3H3,(H,21,22)
InChIKeyZMXOEYWQJVGIGO-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.70
Rot. Bonds4

About N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 2710539) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID2710539
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCCc1cccc2c(C=NNC(=O)c3cc(C)oc3C)c[nH]c12
InChIInChI=1S/C18H19N3O2/c1-4-13-6-5-7-15-14(9-19-17(13)15)10-20-21-18(22)16-8-11(2)23-12(16)3/h5-10,19H,4H2,1-3H3,(H,21,22)
InChIKeyZMXOEYWQJVGIGO-UHFFFAOYSA-N
XLogP3.70
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide 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

N-[(E)-1H-indol-3-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135497938
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 135679847
N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135785166
(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide
CID 137021976
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4283483
4-amino-3,5,6-trichloro-N-[(7-ethyl-1H-indol-3-yl)methylideneamino]pyridine-2-carboxamide
CID 4320116
N-[(2,3-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760406
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893654

Frequently Asked Questions

What is the IUPAC name of N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 2710539) is N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is CCc1cccc2c(C=NNC(=O)c3cc(C)oc3C)c[nH]c12.
What is the InChIKey of N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZMXOEYWQJVGIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-13-6-5-7-15-14(9-19-17(13)15)10-20-21-18(22)16-8-11(2)23-12(16)3/h5-10,19H,4H2,1-3H3,(H,21,22).
What are the key properties of N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2710539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).