1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

C24H21N3O4 — CID 22660696

IUPAC1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(O)(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2cnccc21
InChIInChI=1S/C24H21N3O4/c28-21-18-8-13-25-15-19(18)24(31-21)11-9-23(30,10-12-24)22(29)27-17-6-7-20(26-14-17)16-4-2-1-3-5-16/h1-8,13-15,30H,9-12H2,(H,27,29)
InChIKeyFMLDCZDJVIBPSV-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.45
Rot. Bonds3

About 1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 22660696) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID22660696
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(O)(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2cnccc21
InChIInChI=1S/C24H21N3O4/c28-21-18-8-13-25-15-19(18)24(31-21)11-9-23(30,10-12-24)22(29)27-17-6-7-20(26-14-17)16-4-2-1-3-5-16/h1-8,13-15,30H,9-12H2,(H,27,29)
InChIKeyFMLDCZDJVIBPSV-UHFFFAOYSA-N
XLogP3.45
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of 1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (CID 22660696) is 1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for 1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for 1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(O)(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2cnccc21.
What is the InChIKey of 1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is FMLDCZDJVIBPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c28-21-18-8-13-25-15-19(18)24(31-21)11-9-23(30,10-12-24)22(29)27-17-6-7-20(26-14-17)16-4-2-1-3-5-16/h1-8,13-15,30H,9-12H2,(H,27,29).
What are the key properties of 1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1'-oxo-N-(6-phenyl-3-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 22660696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).