5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

C19H23N3O4S — CID 109234177

IUPAC5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cncc(N(C)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C19H23N3O4S/c1-22(16-7-8-27(24,25)13-16)17-9-15(10-20-12-17)19(23)21-11-14-5-3-4-6-18(14)26-2/h3-6,9-10,12,16H,7-8,11,13H2,1-2H3,(H,21,23)
InChIKeyILAGCHKTBXTHNM-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.64
Rot. Bonds6

About 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109234177) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109234177
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cncc(N(C)C2CCS(=O)(=O)C2)c1
InChIInChI=1S/C19H23N3O4S/c1-22(16-7-8-27(24,25)13-16)17-9-15(10-20-12-17)19(23)21-11-14-5-3-4-6-18(14)26-2/h3-6,9-10,12,16H,7-8,11,13H2,1-2H3,(H,21,23)
InChIKeyILAGCHKTBXTHNM-UHFFFAOYSA-N
XLogP1.64
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]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

Related Compounds

5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109223782
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-3-carboxamide
CID 109237153
3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109105740
N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide
CID 109282293
5-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236584
5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
5-[benzyl(propan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234185
N-(1,1-dioxothiolan-3-yl)-6-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 110090624
1-N'-(1,1-dioxothiolan-3-yl)-1-N'-ethyl-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976178
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 86830047
N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
CID 109222992

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109234177) is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccccc1CNC(=O)c1cncc(N(C)C2CCS(=O)(=O)C2)c1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is ILAGCHKTBXTHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-22(16-7-8-27(24,25)13-16)17-9-15(10-20-12-17)19(23)21-11-14-5-3-4-6-18(14)26-2/h3-6,9-10,12,16H,7-8,11,13H2,1-2H3,(H,21,23).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109234177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).