N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide

C18H18N2O2 — CID 166326941

IUPACN-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide
SMILESO=C(NC1CC2CCC21)c1cc(-c2ccccc2)[nH]c(=O)c1
InChIInChI=1S/C18H18N2O2/c21-17-10-13(9-15(19-17)11-4-2-1-3-5-11)18(22)20-16-8-12-6-7-14(12)16/h1-5,9-10,12,14,16H,6-8H2,(H,19,21)(H,20,22)
InChIKeyBWDSZBJELYTLNV-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.57
Rot. Bonds3

About N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide

N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide (PubChem CID 166326941) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide
PubChem CID166326941
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide
SMILESO=C(NC1CC2CCC21)c1cc(-c2ccccc2)[nH]c(=O)c1
InChIInChI=1S/C18H18N2O2/c21-17-10-13(9-15(19-17)11-4-2-1-3-5-11)18(22)20-16-8-12-6-7-14(12)16/h1-5,9-10,12,14,16H,6-8H2,(H,19,21)(H,20,22)
InChIKeyBWDSZBJELYTLNV-UHFFFAOYSA-N
XLogP2.57
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide (CID 166326941) is N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide is O=C(NC1CC2CCC21)c1cc(-c2ccccc2)[nH]c(=O)c1.
What is the InChIKey of N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide?
The InChIKey is BWDSZBJELYTLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17-10-13(9-15(19-17)11-4-2-1-3-5-11)18(22)20-16-8-12-6-7-14(12)16/h1-5,9-10,12,14,16H,6-8H2,(H,19,21)(H,20,22).
What are the key properties of N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide?
N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.0]hexanyl)-2-oxo-6-phenyl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 166326941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).