5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide

C19H23N3O3S — CID 109189235

IUPAC5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C19H23N3O3S/c1-21(13-15-6-4-3-5-7-15)16-8-9-18(20-12-16)19(23)22(2)17-10-11-26(24,25)14-17/h3-9,12,17H,10-11,13-14H2,1-2H3
InChIKeyTXTILVDGTSFSEI-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.98
Rot. Bonds5

About 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide

5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide (PubChem CID 109189235) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
PubChem CID109189235
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C19H23N3O3S/c1-21(13-15-6-4-3-5-7-15)16-8-9-18(20-12-16)19(23)22(2)17-10-11-26(24,25)14-17/h3-9,12,17H,10-11,13-14H2,1-2H3
InChIKeyTXTILVDGTSFSEI-UHFFFAOYSA-N
XLogP1.98
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-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-(1,1-dioxothiolan-3-yl)-N-methyl-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285341
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109194030
2-(benzylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidine-5-carboxamide
CID 109255397
5-[benzyl(methyl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179860
N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide
CID 109193246
5-[(4-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109190084
N-benzyl-N'-(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108946053
N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
CID 109193256
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 109156279
5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109189250

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide (CID 109189235) is 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide is CN(Cc1ccccc1)c1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)nc1.
What is the InChIKey of 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is TXTILVDGTSFSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-21(13-15-6-4-3-5-7-15)16-8-9-18(20-12-16)19(23)22(2)17-10-11-26(24,25)14-17/h3-9,12,17H,10-11,13-14H2,1-2H3.
What are the key properties of 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide?
5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109189235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).