N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide

C25H33N3O3 — CID 26348462

IUPACN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cn(C2CCCCC2)cc(C(=O)N2CCCC2)c1=O
InChIInChI=1S/C25H33N3O3/c29-23-21(24(30)26-14-19-13-17-8-9-18(19)12-17)15-28(20-6-2-1-3-7-20)16-22(23)25(31)27-10-4-5-11-27/h8-9,15-20H,1-7,10-14H2,(H,26,30)/t17-,18+,19-/m1/s1
InChIKeyHBCXSQCBWDTKJI-CEXWTWQISA-N
MW423.56 g/mol
LogP3.53
Rot. Bonds5

About N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide

N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 26348462) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID26348462
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
SMILESO=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cn(C2CCCCC2)cc(C(=O)N2CCCC2)c1=O
InChIInChI=1S/C25H33N3O3/c29-23-21(24(30)26-14-19-13-17-8-9-18(19)12-17)15-28(20-6-2-1-3-7-20)16-22(23)25(31)27-10-4-5-11-27/h8-9,15-20H,1-7,10-14H2,(H,26,30)/t17-,18+,19-/m1/s1
InChIKeyHBCXSQCBWDTKJI-CEXWTWQISA-N
XLogP3.53
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide (CID 26348462) is N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide is O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cn(C2CCCCC2)cc(C(=O)N2CCCC2)c1=O.
What is the InChIKey of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is HBCXSQCBWDTKJI-CEXWTWQISA-N. The full InChI is InChI=1S/C25H33N3O3/c29-23-21(24(30)26-14-19-13-17-8-9-18(19)12-17)15-28(20-6-2-1-3-7-20)16-22(23)25(31)27-10-4-5-11-27/h8-9,15-20H,1-7,10-14H2,(H,26,30)/t17-,18+,19-/m1/s1.
What are the key properties of N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide?
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 26348462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).