N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide

C18H23N3O3S — CID 176503072

IUPACN,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2cc(=O)n(CCc3ccccc3)cc2C1
InChIInChI=1S/C18H23N3O3S/c1-19(2)25(23,24)21-11-9-16-12-18(22)20(13-17(16)14-21)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeySTIOSLHKUMNBRG-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.26
Rot. Bonds5

About N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide

N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide (PubChem CID 176503072) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide
PubChem CID176503072
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCc2cc(=O)n(CCc3ccccc3)cc2C1
InChIInChI=1S/C18H23N3O3S/c1-19(2)25(23,24)21-11-9-16-12-18(22)20(13-17(16)14-21)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeySTIOSLHKUMNBRG-UHFFFAOYSA-N
XLogP1.26
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide 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,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide?
The IUPAC name of N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide (CID 176503072) is N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide is CN(C)S(=O)(=O)N1CCc2cc(=O)n(CCc3ccccc3)cc2C1.
What is the InChIKey of N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide?
The InChIKey is STIOSLHKUMNBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-19(2)25(23,24)21-11-9-16-12-18(22)20(13-17(16)14-21)10-8-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide?
N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-oxo-7-(2-phenylethyl)-3,4-dihydro-1H-2,7-naphthyridine-2-sulfonamide is sourced from PubChem (CID 176503072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).