5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide

C18H19N3O5S — CID 109106519

IUPAC5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H19N3O5S/c1-26-16-4-2-3-14(8-16)20-17(22)12-7-13(10-19-9-12)18(23)21-15-5-6-27(24,25)11-15/h2-4,7-10,15H,5-6,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyOVTJLFZXQMXSQK-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.26
Rot. Bonds5

About 5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide

5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109106519) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
PubChem CID109106519
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)c1
InChIInChI=1S/C18H19N3O5S/c1-26-16-4-2-3-14(8-16)20-17(22)12-7-13(10-19-9-12)18(23)21-15-5-6-27(24,25)11-15/h2-4,7-10,15H,5-6,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyOVTJLFZXQMXSQK-UHFFFAOYSA-N
XLogP1.26
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(1,1-dioxothiolan-3-yl)-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048157
5-N-(1,1-dioxothiolan-3-yl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109106500
N-(1,1-dioxothiolan-3-yl)-5-(3-methylanilino)pyridine-3-carboxamide
CID 109237173
3-N-(2-chlorophenyl)-5-N-(1,1-dioxothiolan-3-yl)pyridine-3,5-dicarboxamide
CID 109106515
5-(cycloheptylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109239626
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
methyl 4-[[5-[(1,1-dioxothiolan-3-yl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109237228
N-(1,1-dioxothiolan-3-yl)-5-(4-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109237215
N-(1,1-dioxothiolan-3-yl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109372484
2-(3-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-5-carboxamide
CID 109260824
N-(3-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103248
5-N-(2-methoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108873

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide (CID 109106519) is 5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide is COc1cccc(NC(=O)c2cncc(C(=O)NC3CCS(=O)(=O)C3)c2)c1.
What is the InChIKey of 5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is OVTJLFZXQMXSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-26-16-4-2-3-14(8-16)20-17(22)12-7-13(10-19-9-12)18(23)21-15-5-6-27(24,25)11-15/h2-4,7-10,15H,5-6,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide?
5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 389.43 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,1-dioxothiolan-3-yl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).