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

C17H19N3O4S — CID 109193178

IUPAC5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C17H19N3O4S/c1-24-16-5-3-2-4-14(16)20-17(21)15-7-6-12(10-18-15)19-13-8-9-25(22,23)11-13/h2-7,10,13,19H,8-9,11H2,1H3,(H,20,21)
InChIKeyJWTAJZWJKGUAPV-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.94
Rot. Bonds5

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

5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109193178) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109193178
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C17H19N3O4S/c1-24-16-5-3-2-4-14(16)20-17(21)15-7-6-12(10-18-15)19-13-8-9-25(22,23)11-13/h2-7,10,13,19H,8-9,11H2,1H3,(H,20,21)
InChIKeyJWTAJZWJKGUAPV-UHFFFAOYSA-N
XLogP1.94
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109214961
5-(cyclohexylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183176
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109122803
5-[(1,1-dioxothiolan-3-yl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109179484
N-(1,1-dioxothiolan-3-yl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193031
5-[(1,1-dioxothiolan-3-yl)amino]-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109193159
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190368
N-(3-chlorophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109193168
N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109214970
N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285300
N-(1,1-dioxothiolan-3-yl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109193090
N-butan-2-yl-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109181435

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide (CID 109193178) is 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide is COc1ccccc1NC(=O)c1ccc(NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is JWTAJZWJKGUAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-24-16-5-3-2-4-14(16)20-17(21)15-7-6-12(10-18-15)19-13-8-9-25(22,23)11-13/h2-7,10,13,19H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109193178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).