6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide

C20H25N3O3S — CID 109156279

IUPAC6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(N(C)Cc2ccccc2)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H25N3O3S/c1-3-23(18-11-12-27(25,26)15-18)20(24)17-9-10-19(21-13-17)22(2)14-16-7-5-4-6-8-16/h4-10,13,18H,3,11-12,14-15H2,1-2H3
InChIKeyUXFPUDNRDHONCB-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.37
Rot. Bonds6

About 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide

6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide (PubChem CID 109156279) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
PubChem CID109156279
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(N(C)Cc2ccccc2)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H25N3O3S/c1-3-23(18-11-12-27(25,26)15-18)20(24)17-9-10-19(21-13-17)22(2)14-16-7-5-4-6-8-16/h4-10,13,18H,3,11-12,14-15H2,1-2H3
InChIKeyUXFPUDNRDHONCB-UHFFFAOYSA-N
XLogP2.37
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-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

Related Compounds

5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 109189241
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylnaphthalene-2-carboxamide
CID 9245593
1-benzyl-3-(1,1-dioxothiolan-3-yl)-1,3-diethylurea
CID 108988980
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109123703
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-methylpropanediamide
CID 108946063
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-phenyltriazole-4-carboxamide
CID 110702370
N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 665750
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152535
N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 8781845
6-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 109160154
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 72852863

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide (CID 109156279) is 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide is CCN(C(=O)c1ccc(N(C)Cc2ccccc2)nc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The InChIKey is UXFPUDNRDHONCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-23(18-11-12-27(25,26)15-18)20(24)17-9-10-19(21-13-17)22(2)14-16-7-5-4-6-8-16/h4-10,13,18H,3,11-12,14-15H2,1-2H3.
What are the key properties of 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 109156279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).