N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide

C15H13N3O2 — CID 135501779

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3O2/c1-10-12(6-7-20-10)15(19)18-17-9-11-8-16-14-5-3-2-4-13(11)14/h2-9,16H,1H3,(H,18,19)/b17-9+
InChIKeyVXMQWBRDIZCABQ-RQZCQDPDSA-N
MW267.29 g/mol
LogP2.83
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 135501779) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide
PubChem CID135501779
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3O2/c1-10-12(6-7-20-10)15(19)18-17-9-11-8-16-14-5-3-2-4-13(11)14/h2-9,16H,1H3,(H,18,19)/b17-9+
InChIKeyVXMQWBRDIZCABQ-RQZCQDPDSA-N
XLogP2.83
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.83
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide (CID 135501779) is N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is VXMQWBRDIZCABQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-12(6-7-20-10)15(19)18-17-9-11-8-16-14-5-3-2-4-13(11)14/h2-9,16H,1H3,(H,18,19)/b17-9+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 135501779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).