N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide

C19H22N6O5S — CID 123562982

IUPACN-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cccc(C34COCCC3S(=O)(=O)N(C)C(N)=N4)c2)cn1
InChIInChI=1S/C19H22N6O5S/c1-25-18(20)24-19(11-30-7-6-15(19)31(25,27)28)12-4-3-5-13(8-12)23-17(26)14-9-22-16(29-2)10-21-14/h3-5,8-10,15H,6-7,11H2,1-2H3,(H2,20,24)(H,23,26)
InChIKeyCQIIPTOPMVVRGM-UHFFFAOYSA-N
MW446.49 g/mol
LogP0.31
Rot. Bonds4

About N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide

N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide (PubChem CID 123562982) has the molecular formula C19H22N6O5S and a molecular weight of 446.49 g/mol. Its IUPAC name is N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide
PubChem CID123562982
Molecular FormulaC19H22N6O5S
Molecular Weight446.49 g/mol
Exact Mass446.14
IUPAC NameN-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cccc(C34COCCC3S(=O)(=O)N(C)C(N)=N4)c2)cn1
InChIInChI=1S/C19H22N6O5S/c1-25-18(20)24-19(11-30-7-6-15(19)31(25,27)28)12-4-3-5-13(8-12)23-17(26)14-9-22-16(29-2)10-21-14/h3-5,8-10,15H,6-7,11H2,1-2H3,(H2,20,24)(H,23,26)
InChIKeyCQIIPTOPMVVRGM-UHFFFAOYSA-N
XLogP0.31
TPSA149.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide with MolForge

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Related Compounds

N-[3-[(4aR)-3-amino-2-methyl-1,1-dioxo-5,6,8,8a-tetrahydropyrano[4,3-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 89036616
N-[(4R)-3'-amino-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-6-yl]-5-methoxypyrazine-2-carboxamide
CID 122535435
N-[3-[(1R,5S,6R)-3-amino-5-(difluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]phenyl]-5-methoxypyrazine-2-carboxamide
CID 90413125
N-[3-[(4aR,7aR)-3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 129202107
N-[3-(3-amino-2-methyl-1,1-dioxo-6,7a-dihydro-5H-furo[3,2-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 78078198
5-[(4aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-chloro-N-(6-methoxy-2-pyridinyl)thiophene-2-carboxamide
CID 71469016
5-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)-4-chloro-N-(6-ethyl-2-pyridinyl)thiophene-2-carboxamide
CID 78077550
N-[(4aS,11bR)-2-amino-3,11b-dimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[5,4-e][1,2,4]thiadiazin-10-yl]pyridine-2-carboxamide
CID 121264054
N-[3-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68586164
N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 122195837
N-[3-(6-acetyl-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-pyrrolo[3,4-e][1,2,4]thiadiazin-4a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 78077554
N-[3-[(2S,3R)-5-amino-3-methyl-2-(trifluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 122387737

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide?
The IUPAC name of N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide (CID 123562982) is N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide?
The canonical SMILES for N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide is COc1cnc(C(=O)Nc2cccc(C34COCCC3S(=O)(=O)N(C)C(N)=N4)c2)cn1.
What is the InChIKey of N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide?
The InChIKey is CQIIPTOPMVVRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O5S/c1-25-18(20)24-19(11-30-7-6-15(19)31(25,27)28)12-4-3-5-13(8-12)23-17(26)14-9-22-16(29-2)10-21-14/h3-5,8-10,15H,6-7,11H2,1-2H3,(H2,20,24)(H,23,26).
What are the key properties of N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide?
N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-2-methyl-1,1-dioxo-5,7,8,8a-tetrahydropyrano[3,4-e][1,2,4]thiadiazin-4a-yl)phenyl]-5-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 123562982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).