N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide

C18H21N3O4S — CID 109159509

IUPACN-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C18H21N3O4S/c1-21(14-9-10-26(23,24)12-14)18(22)13-7-8-17(19-11-13)20-15-5-3-4-6-16(15)25-2/h3-8,11,14H,9-10,12H2,1-2H3,(H,19,20)
InChIKeyKCYKEOTUCPHWGY-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.09
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide (PubChem CID 109159509) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
PubChem CID109159509
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C18H21N3O4S/c1-21(14-9-10-26(23,24)12-14)18(22)13-7-8-17(19-11-13)20-15-5-3-4-6-16(15)25-2/h3-8,11,14H,9-10,12H2,1-2H3,(H,19,20)
InChIKeyKCYKEOTUCPHWGY-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)-6-(2-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109159499
N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
CID 109193256
N-(1,1-dioxothiolan-3-yl)-6-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 110090624
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109159498
N-(1,1-dioxothiolan-3-yl)-6-(4-ethoxyanilino)-N-methylpyridine-3-carboxamide
CID 109159513
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109159530
N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
CID 110755780
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109260979
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
6-(3-chloro-4-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 109159507
N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide
CID 109282293
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157844

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide (CID 109159509) is N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide is COc1ccccc1Nc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
The InChIKey is KCYKEOTUCPHWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-21(14-9-10-26(23,24)12-14)18(22)13-7-8-17(19-11-13)20-15-5-3-4-6-16(15)25-2/h3-8,11,14H,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-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)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 109159509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).