3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide

C24H17N5O3 — CID 2816119

IUPAC3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NN=Cc2cccnc2)oc2nc(-c3ccccc3)cc(-c3ccco3)c12
InChIInChI=1S/C24H17N5O3/c25-21-20-17(19-9-5-11-31-19)12-18(16-7-2-1-3-8-16)28-24(20)32-22(21)23(30)29-27-14-15-6-4-10-26-13-15/h1-14H,25H2,(H,29,30)
InChIKeyXPSUEJCKLSFOGT-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.50
Rot. Bonds5

About 3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide

3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide (PubChem CID 2816119) has the molecular formula C24H17N5O3 and a molecular weight of 423.43 g/mol. Its IUPAC name is 3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide
PubChem CID2816119
Molecular FormulaC24H17N5O3
Molecular Weight423.43 g/mol
Exact Mass423.13
IUPAC Name3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)NN=Cc2cccnc2)oc2nc(-c3ccccc3)cc(-c3ccco3)c12
InChIInChI=1S/C24H17N5O3/c25-21-20-17(19-9-5-11-31-19)12-18(16-7-2-1-3-8-16)28-24(20)32-22(21)23(30)29-27-14-15-6-4-10-26-13-15/h1-14H,25H2,(H,29,30)
InChIKeyXPSUEJCKLSFOGT-UHFFFAOYSA-N
XLogP4.50
TPSA119.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.50
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide (CID 2816119) is 3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)NN=Cc2cccnc2)oc2nc(-c3ccccc3)cc(-c3ccco3)c12.
What is the InChIKey of 3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is XPSUEJCKLSFOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3/c25-21-20-17(19-9-5-11-31-19)12-18(16-7-2-1-3-8-16)28-24(20)32-22(21)23(30)29-27-14-15-6-4-10-26-13-15/h1-14H,25H2,(H,29,30).
What are the key properties of 3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide?
3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 2816119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).