N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide

C11H9N3O2 — CID 678532

IUPACN-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
SMILESO=C(NN=Cc1ccncc1)c1ccco1
InChIInChI=1S/C11H9N3O2/c15-11(10-2-1-7-16-10)14-13-8-9-3-5-12-6-4-9/h1-8H,(H,14,15)
InChIKeyDPNJFOZIFNQBHM-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.44
Rot. Bonds3

About N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide

N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide (PubChem CID 678532) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
PubChem CID678532
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC NameN-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
SMILESO=C(NN=Cc1ccncc1)c1ccco1
InChIInChI=1S/C11H9N3O2/c15-11(10-2-1-7-16-10)14-13-8-9-3-5-12-6-4-9/h1-8H,(H,14,15)
InChIKeyDPNJFOZIFNQBHM-UHFFFAOYSA-N
XLogP1.44
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.44
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

N-[(Z)-(4-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 136661630
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]furan-2-carboxamide
CID 5401936
N-[(E)-(3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6885887
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785
5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 3699372
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 7231244
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
N-[(Z)-(4-butoxyphenyl)methylideneamino]furan-2-carboxamide
CID 9175443
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 135642156
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
The IUPAC name of N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide (CID 678532) is N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide.
What is the SMILES notation for N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
The canonical SMILES for N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide is O=C(NN=Cc1ccncc1)c1ccco1.
What is the InChIKey of N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
The InChIKey is DPNJFOZIFNQBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-11(10-2-1-7-16-10)14-13-8-9-3-5-12-6-4-9/h1-8H,(H,14,15).
What are the key properties of N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide has a molecular weight of 215.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide is sourced from PubChem (CID 678532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).