1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide

C22H26N2O3 — CID 178166137

IUPAC1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
SMILESCCOC1CC(n2cc(C(=O)NC3CC(c4ccccc4)C3)ccc2=O)C1
InChIInChI=1S/C22H26N2O3/c1-2-27-20-12-19(13-20)24-14-16(8-9-21(24)25)22(26)23-18-10-17(11-18)15-6-4-3-5-7-15/h3-9,14,17-20H,2,10-13H2,1H3,(H,23,26)
InChIKeyRVMOCPHNTLOYFV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.26
Rot. Bonds6

About 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide

1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide (PubChem CID 178166137) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
PubChem CID178166137
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
SMILESCCOC1CC(n2cc(C(=O)NC3CC(c4ccccc4)C3)ccc2=O)C1
InChIInChI=1S/C22H26N2O3/c1-2-27-20-12-19(13-20)24-14-16(8-9-21(24)25)22(26)23-18-10-17(11-18)15-6-4-3-5-7-15/h3-9,14,17-20H,2,10-13H2,1H3,(H,23,26)
InChIKeyRVMOCPHNTLOYFV-UHFFFAOYSA-N
XLogP3.26
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide (CID 178166137) is 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide is CCOC1CC(n2cc(C(=O)NC3CC(c4ccccc4)C3)ccc2=O)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
The InChIKey is RVMOCPHNTLOYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-27-20-12-19(13-20)24-14-16(8-9-21(24)25)22(26)23-18-10-17(11-18)15-6-4-3-5-7-15/h3-9,14,17-20H,2,10-13H2,1H3,(H,23,26).
What are the key properties of 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 178166137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).