1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

C24H21N3O3 — CID 46226628

IUPAC1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2cnccc21
InChIInChI=1S/C24H21N3O3/c28-22(27-21-7-6-18(14-26-21)16-4-2-1-3-5-16)17-8-11-24(12-9-17)20-15-25-13-10-19(20)23(29)30-24/h1-7,10,13-15,17H,8-9,11-12H2,(H,26,27,28)
InChIKeyDXEFJGPUHYASEM-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.34
Rot. Bonds3

About 1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide

1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (PubChem CID 46226628) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.

Molecular Properties

Compound Name1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
PubChem CID46226628
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide
SMILESO=C1OC2(CCC(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2cnccc21
InChIInChI=1S/C24H21N3O3/c28-22(27-21-7-6-18(14-26-21)16-4-2-1-3-5-16)17-8-11-24(12-9-17)20-15-25-13-10-19(20)23(29)30-24/h1-7,10,13-15,17H,8-9,11-12H2,(H,26,27,28)
InChIKeyDXEFJGPUHYASEM-UHFFFAOYSA-N
XLogP4.34
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The IUPAC name of 1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide (CID 46226628) is 1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide.
What is the SMILES notation for 1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The canonical SMILES for 1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is O=C1OC2(CCC(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2cnccc21.
What is the InChIKey of 1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
The InChIKey is DXEFJGPUHYASEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22(27-21-7-6-18(14-26-21)16-4-2-1-3-5-16)17-8-11-24(12-9-17)20-15-25-13-10-19(20)23(29)30-24/h1-7,10,13-15,17H,8-9,11-12H2,(H,26,27,28).
What are the key properties of 1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide?
1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-oxo-N-(5-phenyl-2-pyridinyl)spiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxamide is sourced from PubChem (CID 46226628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).