N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide

C12H11N3O2 — CID 5338184

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IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccco1
InChIInChI=1S/C12H11N3O2/c1-9(11-3-2-8-17-11)14-15-12(16)10-4-6-13-7-5-10/h2-8H,1H3,(H,15,16)/b14-9+
InChIKeyGNDPAVKYAUIVEB-NTEUORMPSA-N
MW229.24 g/mol
LogP1.83
Rot. Bonds3

About N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 5338184) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide
PubChem CID5338184
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1ccco1
InChIInChI=1S/C12H11N3O2/c1-9(11-3-2-8-17-11)14-15-12(16)10-4-6-13-7-5-10/h2-8H,1H3,(H,15,16)/b14-9+
InChIKeyGNDPAVKYAUIVEB-NTEUORMPSA-N
XLogP1.83
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 ≤ 51.83
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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Related Compounds

Furfural isonicotinoylhydrazone
CID 5469568
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]pyridine-2-carboxamide
CID 6865077
N'-(1-(2-Furyl)ethylidene)-2-(1-methyl-1H-pyrrol-2-YL)acetohydrazide
CID 5395312
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164
N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
CID 6862517
Isonicotinic acid, (5-methylfurfurylidene)hydrazide
CID 5390725
2-Methyl-furan-3-carboxylic acid pyridin-2-ylmethylene-hydrazide
CID 6871824
N'-(3-Methoxybenzylidene)isonicotinohydrazide
CID 6787085
(1-Methyl-1H-pyrrol-2-yl)-acetic acid [(Z)-3-furan-2-yl-2-methyl-prop-2-en-(E)-ylidene]-hydrazide
CID 6865182
N'-(4-phenoxybutanoyl)pyridine-4-carbohydrazide
CID 4780082
6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 5405088

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide (CID 5338184) is N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1ccco1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is GNDPAVKYAUIVEB-NTEUORMPSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-9(11-3-2-8-17-11)14-15-12(16)10-4-6-13-7-5-10/h2-8H,1H3,(H,15,16)/b14-9+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5338184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).