N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide

C21H19N3O2 — CID 6875658

IUPACN-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccoc3C)ccc21
InChIInChI=1S/C21H19N3O2/c1-3-24-19-7-5-4-6-17(19)18-12-15(8-9-20(18)24)13-22-23-21(25)16-10-11-26-14(16)2/h4-13H,3H2,1-2H3,(H,23,25)/b22-13+
InChIKeyJIWOGWYFISCMAG-LPYMAVHISA-N
MW345.40 g/mol
LogP4.48
Rot. Bonds4

About N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 6875658) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID6875658
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide
SMILESCCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccoc3C)ccc21
InChIInChI=1S/C21H19N3O2/c1-3-24-19-7-5-4-6-17(19)18-12-15(8-9-20(18)24)13-22-23-21(25)16-10-11-26-14(16)2/h4-13H,3H2,1-2H3,(H,23,25)/b22-13+
InChIKeyJIWOGWYFISCMAG-LPYMAVHISA-N
XLogP4.48
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide (CID 6875658) is N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide is CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccoc3C)ccc21.
What is the InChIKey of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is JIWOGWYFISCMAG-LPYMAVHISA-N. The full InChI is InChI=1S/C21H19N3O2/c1-3-24-19-7-5-4-6-17(19)18-12-15(8-9-20(18)24)13-22-23-21(25)16-10-11-26-14(16)2/h4-13H,3H2,1-2H3,(H,23,25)/b22-13+.
What are the key properties of N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6875658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).