2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide

C18H14N6O3 — CID 4674781

IUPAC2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
SMILESO=C(NN=Cc1cccnc1)c1ccc(C(=O)NN=Cc2cccnc2)o1
InChIInChI=1S/C18H14N6O3/c25-17(23-21-11-13-3-1-7-19-9-13)15-5-6-16(27-15)18(26)24-22-12-14-4-2-8-20-10-14/h1-12H,(H,23,25)(H,24,26)
InChIKeyVTJLBTCEYCQWNU-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.60
Rot. Bonds6

About 2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide

2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide (PubChem CID 4674781) has the molecular formula C18H14N6O3 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
PubChem CID4674781
Molecular FormulaC18H14N6O3
Molecular Weight362.35 g/mol
Exact Mass362.11
IUPAC Name2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
SMILESO=C(NN=Cc1cccnc1)c1ccc(C(=O)NN=Cc2cccnc2)o1
InChIInChI=1S/C18H14N6O3/c25-17(23-21-11-13-3-1-7-19-9-13)15-5-6-16(27-15)18(26)24-22-12-14-4-2-8-20-10-14/h1-12H,(H,23,25)(H,24,26)
InChIKeyVTJLBTCEYCQWNU-UHFFFAOYSA-N
XLogP1.60
TPSA121.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
CID 6874482
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
5-[(4-nitropyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
CID 6873652
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
5-bromo-N-(pyridin-3-ylmethylideneamino)thiophene-2-carboxamide
CID 24818500
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-pyridin-3-ylmethylideneamino]-4-pyrrol-1-ylbenzamide
CID 6875109
2-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-4-carboxamide
CID 24839706
5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 3699372
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
1-hydroxy-N-[(Z)-pyridin-3-ylmethylideneamino]naphthalene-2-carboxamide
CID 5412473

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide (CID 4674781) is 2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide is O=C(NN=Cc1cccnc1)c1ccc(C(=O)NN=Cc2cccnc2)o1.
What is the InChIKey of 2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide?
The InChIKey is VTJLBTCEYCQWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3/c25-17(23-21-11-13-3-1-7-19-9-13)15-5-6-16(27-15)18(26)24-22-12-14-4-2-8-20-10-14/h1-12H,(H,23,25)(H,24,26).
What are the key properties of 2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide?
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide has a molecular weight of 362.35 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide is sourced from PubChem (CID 4674781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).