N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

C23H30N2O4S — CID 123233656

IUPACN-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCN(C(=O)c1cc2c(n(CCCS(C)(=O)=O)c1=O)CCCCCC2)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-24(19-12-7-5-8-13-19)22(26)20-17-18-11-6-3-4-9-14-21(18)25(23(20)27)15-10-16-30(2,28)29/h5,7-8,12-13,17H,3-4,6,9-11,14-16H2,1-2H3
InChIKeyPYPXCPWSBVENTP-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide

N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (PubChem CID 123233656) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
PubChem CID123233656
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
SMILESCN(C(=O)c1cc2c(n(CCCS(C)(=O)=O)c1=O)CCCCCC2)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-24(19-12-7-5-8-13-19)22(26)20-17-18-11-6-3-4-9-14-21(18)25(23(20)27)15-10-16-30(2,28)29/h5,7-8,12-13,17H,3-4,6,9-11,14-16H2,1-2H3
InChIKeyPYPXCPWSBVENTP-UHFFFAOYSA-N
XLogP3.22
TPSA76.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]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 N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The IUPAC name of N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide (CID 123233656) is N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is CN(C(=O)c1cc2c(n(CCCS(C)(=O)=O)c1=O)CCCCCC2)c1ccccc1.
What is the InChIKey of N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
The InChIKey is PYPXCPWSBVENTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-24(19-12-7-5-8-13-19)22(26)20-17-18-11-6-3-4-9-14-21(18)25(23(20)27)15-10-16-30(2,28)29/h5,7-8,12-13,17H,3-4,6,9-11,14-16H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide?
N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide has a molecular weight of 430.57 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylsulfonylpropyl)-2-oxo-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide is sourced from PubChem (CID 123233656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).