1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

C17H24N4O6S — CID 5015263

IUPAC1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCOc1ccc(C(=O)N2CCCN2C(=O)CN2CCS(=O)(=O)CC2)c(OC)n1
InChIInChI=1S/C17H24N4O6S/c1-26-14-5-4-13(16(18-14)27-2)17(23)21-7-3-6-20(21)15(22)12-19-8-10-28(24,25)11-9-19/h4-5H,3,6-12H2,1-2H3
InChIKeyBGRJJRZWDYYRMW-UHFFFAOYSA-N
MW412.47 g/mol
LogP-0.58
Rot. Bonds5

About 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone

1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (PubChem CID 5015263) has the molecular formula C17H24N4O6S and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
PubChem CID5015263
Molecular FormulaC17H24N4O6S
Molecular Weight412.47 g/mol
Exact Mass412.14
IUPAC Name1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
SMILESCOc1ccc(C(=O)N2CCCN2C(=O)CN2CCS(=O)(=O)CC2)c(OC)n1
InChIInChI=1S/C17H24N4O6S/c1-26-14-5-4-13(16(18-14)27-2)17(23)21-7-3-6-20(21)15(22)12-19-8-10-28(24,25)11-9-19/h4-5H,3,6-12H2,1-2H3
InChIKeyBGRJJRZWDYYRMW-UHFFFAOYSA-N
XLogP-0.58
TPSA109.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-3-oxopropanoate
CID 3867735
propyl 2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidine-1-carboxylate
CID 3845774
(2,6-dimethoxy-3-pyridinyl)-[2-(1-methylcyclopropanecarbonyl)pyrazolidin-1-yl]methanone
CID 3727600
2-(2,6-dimethoxypyridine-3-carbonyl)-N-ethylpyrazolidine-1-carbothioamide
CID 3850000
1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 3755477
(2,6-dimethoxy-3-pyridinyl)-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]methanone
CID 4670046
4-(2,6-dimethoxypyridine-3-carbonyl)-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 70706978
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51080554
[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 26396060
(2,6-dimethoxy-3-pyridinyl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052077
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 53192405
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 25459630

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The IUPAC name of 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone (CID 5015263) is 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone.
What is the SMILES notation for 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The canonical SMILES for 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is COc1ccc(C(=O)N2CCCN2C(=O)CN2CCS(=O)(=O)CC2)c(OC)n1.
What is the InChIKey of 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
The InChIKey is BGRJJRZWDYYRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O6S/c1-26-14-5-4-13(16(18-14)27-2)17(23)21-7-3-6-20(21)15(22)12-19-8-10-28(24,25)11-9-19/h4-5H,3,6-12H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone?
1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone has a molecular weight of 412.47 g/mol, XLogP of -0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone is sourced from PubChem (CID 5015263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).