6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide

C20H25N3O3S — CID 109160161

IUPAC6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2cccc(C)c2C)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H25N3O3S/c1-4-23(17-10-11-27(25,26)13-17)20(24)16-8-9-19(21-12-16)22-18-7-5-6-14(2)15(18)3/h5-9,12,17H,4,10-11,13H2,1-3H3,(H,21,22)
InChIKeyLERXRSDRHSQALE-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.09
Rot. Bonds5

About 6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide

6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide (PubChem CID 109160161) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
PubChem CID109160161
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Nc2cccc(C)c2C)nc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H25N3O3S/c1-4-23(17-10-11-27(25,26)13-17)20(24)16-8-9-19(21-12-16)22-18-7-5-6-14(2)15(18)3/h5-9,12,17H,4,10-11,13H2,1-3H3,(H,21,22)
InChIKeyLERXRSDRHSQALE-UHFFFAOYSA-N
XLogP3.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280117
1-N-(2,3-dimethylphenyl)-1-N'-(1,1-dioxothiolan-3-yl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108978598
N-(1,1-dioxothiolan-3-yl)-6-(2-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109159499
2-(3,4-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidine-5-carboxamide
CID 109261733
2-N-(2,3-dimethylphenyl)-1-N-(1,1-dioxothiolan-3-yl)-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109138846
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109159509
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-methylpyridine-2-carboxamide
CID 110697417
6-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 109156279
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152535
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109159498
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118020
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-2-ylpyrimidine-5-carboxamide
CID 72852863

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide (CID 109160161) is 6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide is CCN(C(=O)c1ccc(Nc2cccc(C)c2C)nc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
The InChIKey is LERXRSDRHSQALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-4-23(17-10-11-27(25,26)13-17)20(24)16-8-9-19(21-12-16)22-18-7-5-6-14(2)15(18)3/h5-9,12,17H,4,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of 6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide?
6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 109160161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).