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

C18H20N6O5S — CID 122535435

IUPACN-[(4R)-3'-amino-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-6-yl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc3c(c2)[C@]2(CCO3)CS(=O)(=O)N(C)C(N)=N2)cn1
InChIInChI=1S/C18H20N6O5S/c1-24-17(19)23-18(10-30(24,26)27)5-6-29-14-4-3-11(7-12(14)18)22-16(25)13-8-21-15(28-2)9-20-13/h3-4,7-9H,5-6,10H2,1-2H3,(H2,19,23)(H,22,25)/t18-/m0/s1
InChIKeySHKHXXYBAIQHBQ-SFHVURJKSA-N
MW432.46 g/mol
LogP0.31
Rot. Bonds3

About 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

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 (PubChem CID 122535435) has the molecular formula C18H20N6O5S and a molecular weight of 432.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(4R)-3'-amino-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-6-yl]-5-methoxypyrazine-2-carboxamide
PubChem CID122535435
Molecular FormulaC18H20N6O5S
Molecular Weight432.46 g/mol
Exact Mass432.12
IUPAC NameN-[(4R)-3'-amino-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-6-yl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc3c(c2)[C@]2(CCO3)CS(=O)(=O)N(C)C(N)=N2)cn1
InChIInChI=1S/C18H20N6O5S/c1-24-17(19)23-18(10-30(24,26)27)5-6-29-14-4-3-11(7-12(14)18)22-16(25)13-8-21-15(28-2)9-20-13/h3-4,7-9H,5-6,10H2,1-2H3,(H2,19,23)(H,22,25)/t18-/m0/s1
InChIKeySHKHXXYBAIQHBQ-SFHVURJKSA-N
XLogP0.31
TPSA149.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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
tert-butyl N-[(4R)-6-[(5-chloropyridine-2-carbonyl)amino]-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-3'-yl]carbamate
CID 122535441
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-5-methoxy-3-methylpyridine-2-carboxamide
CID 123485390
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-4-chloro-1-methylpyrazole-3-carboxamide
CID 123705785
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 77411750
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-(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
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[2,3-dihydrochromene-4,3'-2H-1,4-thiazine]-6-yl)-2-methoxyacetamide
CID 123581683
N-[3-[(3R)-5-amino-1,1-dihydroxy-3,9-dimethyl-1λ4-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 118661953
N-[3-[(2S)-6-amino-2,5,5-trimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 140946078
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 75603740
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-methylpyridine-2-carboxamide
CID 44626066

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cnc(C(=O)Nc2ccc3c(c2)[C@]2(CCO3)CS(=O)(=O)N(C)C(N)=N2)cn1.
What is the InChIKey of 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?
The InChIKey is SHKHXXYBAIQHBQ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N6O5S/c1-24-17(19)23-18(10-30(24,26)27)5-6-29-14-4-3-11(7-12(14)18)22-16(25)13-8-21-15(28-2)9-20-13/h3-4,7-9H,5-6,10H2,1-2H3,(H2,19,23)(H,22,25)/t18-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 432.46 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122535435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).