N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide

C18H21N3O4S — CID 109193256

IUPACN-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C18H21N3O4S/c1-21(14-9-10-26(23,24)12-14)18(22)16-8-7-13(11-19-16)20-15-5-3-4-6-17(15)25-2/h3-8,11,14,20H,9-10,12H2,1-2H3
InChIKeyFLETWICBVKOJET-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.09
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide (PubChem CID 109193256) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
PubChem CID109193256
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)nc1
InChIInChI=1S/C18H21N3O4S/c1-21(14-9-10-26(23,24)12-14)18(22)16-8-7-13(11-19-16)20-15-5-3-4-6-17(15)25-2/h3-8,11,14,20H,9-10,12H2,1-2H3
InChIKeyFLETWICBVKOJET-UHFFFAOYSA-N
XLogP2.09
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide
CID 109193246
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109159509
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
CID 110755780
N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide
CID 109282293
5-(2-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-2-carboxamide
CID 109193990
5-[(4-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109190084
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
CID 109285381
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109260979
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285341
5-[benzyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109189235

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide (CID 109193256) is N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide is COc1ccccc1Nc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)nc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide?
The InChIKey is FLETWICBVKOJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-21(14-9-10-26(23,24)12-14)18(22)16-8-7-13(11-19-16)20-15-5-3-4-6-17(15)25-2/h3-8,11,14,20H,9-10,12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109193256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).