N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide

C20H20N6O3S — CID 56597241

IUPACN-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
SMILESO=C(NCc1ccc(N2CCS(=O)(=O)CC2)nc1)c1ccc(-c2cnccn2)cn1
InChIInChI=1S/C20H20N6O3S/c27-20(17-3-2-16(13-23-17)18-14-21-5-6-22-18)25-12-15-1-4-19(24-11-15)26-7-9-30(28,29)10-8-26/h1-6,11,13-14H,7-10,12H2,(H,25,27)
InChIKeyVTHDWUPJLVMQLU-UHFFFAOYSA-N
MW424.49 g/mol
LogP1.10
Rot. Bonds5

About N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide

N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide (PubChem CID 56597241) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
PubChem CID56597241
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC NameN-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
SMILESO=C(NCc1ccc(N2CCS(=O)(=O)CC2)nc1)c1ccc(-c2cnccn2)cn1
InChIInChI=1S/C20H20N6O3S/c27-20(17-3-2-16(13-23-17)18-14-21-5-6-22-18)25-12-15-1-4-19(24-11-15)26-7-9-30(28,29)10-8-26/h1-6,11,13-14H,7-10,12H2,(H,25,27)
InChIKeyVTHDWUPJLVMQLU-UHFFFAOYSA-N
XLogP1.10
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[5-(chloromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 61256629
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
N-[[6-[2-(1,1-difluoroethyl)-4-pyridinyl]-5-fluoro-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide
CID 118500233
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-4-quinolin-6-ylpyrimidin-2-amine
CID 129033196
6-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 47042368
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-(pyridin-4-ylmethyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145628
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283539
5-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyridine-2,5-dicarboxamide
CID 86859111
4-chloro-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 17424871
N-(pyridin-4-ylmethyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109191479

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide (CID 56597241) is N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide is O=C(NCc1ccc(N2CCS(=O)(=O)CC2)nc1)c1ccc(-c2cnccn2)cn1.
What is the InChIKey of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
The InChIKey is VTHDWUPJLVMQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c27-20(17-3-2-16(13-23-17)18-14-21-5-6-22-18)25-12-15-1-4-19(24-11-15)26-7-9-30(28,29)10-8-26/h1-6,11,13-14H,7-10,12H2,(H,25,27).
What are the key properties of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide?
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 56597241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).