N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide

C14H15N3O2 — CID 6861569

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccco2)cc1
InChIInChI=1S/C14H15N3O2/c1-17(2)12-7-5-11(6-8-12)10-15-16-14(18)13-4-3-9-19-13/h3-10H,1-2H3,(H,16,18)/b15-10+
InChIKeyGUQGVNCMOYZRHM-XNTDXEJSSA-N
MW257.29 g/mol
LogP2.11
Rot. Bonds4

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide (PubChem CID 6861569) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide
PubChem CID6861569
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide
SMILESCN(C)c1ccc(/C=N/NC(=O)c2ccco2)cc1
InChIInChI=1S/C14H15N3O2/c1-17(2)12-7-5-11(6-8-12)10-15-16-14(18)13-4-3-9-19-13/h3-10H,1-2H3,(H,16,18)/b15-10+
InChIKeyGUQGVNCMOYZRHM-XNTDXEJSSA-N
XLogP2.11
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.11
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)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide (CID 6861569) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide is CN(C)c1ccc(/C=N/NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide?
The InChIKey is GUQGVNCMOYZRHM-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17(2)12-7-5-11(6-8-12)10-15-16-14(18)13-4-3-9-19-13/h3-10H,1-2H3,(H,16,18)/b15-10+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6861569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).