2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide

C12H11N3O2 — CID 5335234

IUPAC2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1cccnc1
InChIInChI=1S/C12H11N3O2/c1-9-11(4-6-17-9)12(16)15-14-8-10-3-2-5-13-7-10/h2-8H,1H3,(H,15,16)/b14-8+
InChIKeyIEPYVUGXSJPOHQ-RIYZIHGNSA-N
MW229.24 g/mol
LogP1.75
Rot. Bonds3

About 2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide

2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide (PubChem CID 5335234) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide
PubChem CID5335234
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/c1cccnc1
InChIInChI=1S/C12H11N3O2/c1-9-11(4-6-17-9)12(16)15-14-8-10-3-2-5-13-7-10/h2-8H,1H3,(H,15,16)/b14-8+
InChIKeyIEPYVUGXSJPOHQ-RIYZIHGNSA-N
XLogP1.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.75
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 2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide (CID 5335234) is 2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C/c1cccnc1.
What is the InChIKey of 2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide?
The InChIKey is IEPYVUGXSJPOHQ-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-9-11(4-6-17-9)12(16)15-14-8-10-3-2-5-13-7-10/h2-8H,1H3,(H,15,16)/b14-8+.
What are the key properties of 2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide?
2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-pyridin-3-ylmethylideneamino]furan-3-carboxamide is sourced from PubChem (CID 5335234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).