(1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide

C23H24N2O3 — CID 124827793

IUPAC(1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
SMILESCc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)N(C)Cc4ccncc4)[C@H]31)O2
InChIInChI=1S/C23H24N2O3/c1-14-3-4-19-17(11-14)18(26)12-23(28-19)8-5-16-20(21(16)23)22(27)25(2)13-15-6-9-24-10-7-15/h3-4,6-7,9-11,16,20-21H,5,8,12-13H2,1-2H3/t16-,20-,21+,23+/m1/s1
InChIKeyUTFYLUDVIZOOLB-VTUOOYILSA-N
MW376.46 g/mol
LogP3.41
Rot. Bonds3

About (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide

(1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide (PubChem CID 124827793) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide.

Molecular Properties

Compound Name(1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
PubChem CID124827793
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
SMILESCc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)N(C)Cc4ccncc4)[C@H]31)O2
InChIInChI=1S/C23H24N2O3/c1-14-3-4-19-17(11-14)18(26)12-23(28-19)8-5-16-20(21(16)23)22(27)25(2)13-15-6-9-24-10-7-15/h3-4,6-7,9-11,16,20-21H,5,8,12-13H2,1-2H3/t16-,20-,21+,23+/m1/s1
InChIKeyUTFYLUDVIZOOLB-VTUOOYILSA-N
XLogP3.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
The IUPAC name of (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide (CID 124827793) is (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide.
What is the SMILES notation for (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
The canonical SMILES for (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide is Cc1ccc2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](C(=O)N(C)Cc4ccncc4)[C@H]31)O2.
What is the InChIKey of (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
The InChIKey is UTFYLUDVIZOOLB-VTUOOYILSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-14-3-4-19-17(11-14)18(26)12-23(28-19)8-5-16-20(21(16)23)22(27)25(2)13-15-6-9-24-10-7-15/h3-4,6-7,9-11,16,20-21H,5,8,12-13H2,1-2H3/t16-,20-,21+,23+/m1/s1.
What are the key properties of (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide?
(1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,2S,5'S,6'R)-N,6-dimethyl-4-oxo-N-(pyridin-4-ylmethyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide is sourced from PubChem (CID 124827793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).