N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide

C18H21N3O5S — CID 109159310

IUPACN-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)nc2)c1
InChIInChI=1S/C18H21N3O5S/c1-25-14-4-5-16(26-2)15(9-14)21-18(22)12-3-6-17(19-10-12)20-13-7-8-27(23,24)11-13/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyWYAFYMWBGQTDLR-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.95
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide

N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (PubChem CID 109159310) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
PubChem CID109159310
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)nc2)c1
InChIInChI=1S/C18H21N3O5S/c1-25-14-4-5-16(26-2)15(9-14)21-18(22)12-3-6-17(19-10-12)20-13-7-8-27(23,24)11-13/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyWYAFYMWBGQTDLR-UHFFFAOYSA-N
XLogP1.95
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285300
N-(5-chloro-2-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260898
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
6-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109158925
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319
6-(5-chloro-2-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159378
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
N-(5-chloro-2-methoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122802
N-(5-chloro-2-methoxyphenyl)-6-(cycloheptylamino)pyridine-3-carboxamide
CID 109161029
6-(3,4-difluoroanilino)-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109164336
1-(2,5-dimethoxyphenyl)-3-(1,1-dioxothian-3-yl)urea
CID 56795391
N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109214970

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide (CID 109159310) is N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)nc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is WYAFYMWBGQTDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-14-4-5-16(26-2)15(9-14)21-18(22)12-3-6-17(19-10-12)20-13-7-8-27(23,24)11-13/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide?
N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109159310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).