N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide

C142H162N26O25S6 — CID 157350594

IUPACN-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=CS(=O)(=O)C2)NC(=O)c1ccnc(N2CCCC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-c2ccccc2O)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCCCC2)c1.CCN(CC)c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1ccc(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)cc1.Cc1cccc(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)c1
InChIInChI=1S/2C25H26N4O4S.C24H24N4O5S.C23H29N5O4S.C23H28N4O4S.C22H29N5O4S/c1-16-6-4-7-17(12-16)20-13-18(10-11-27-20)24(30)28-25(2,3)15-33-21-9-5-8-19-14-34(31,32)29-23(26)22(19)21;1-16-7-9-17(10-8-16)20-13-18(11-12-27-20)24(30)28-25(2,3)15-33-21-6-4-5-19-14-34(31,32)29-23(26)22(19)21;1-24(2,14-33-20-9-5-6-16-13-34(31,32)28-22(25)21(16)20)27-23(30)15-10-11-26-18(12-15)17-7-3-4-8-19(17)29;1-23(2,15-32-18-8-6-7-17-14-33(30,31)27-21(24)20(17)18)26-22(29)16-9-10-25-19(13-16)28-11-4-3-5-12-28;1-23(2,26-22(28)16-8-9-25-20(12-16)27-10-3-4-11-27)15-31-19-7-5-6-17-13-32(29,30)14-18(24)21(17)19;1-5-27(6-2)18-12-15(10-11-24-18)21(28)25-22(3,4)14-31-17-9-7-8-16-13-32(29,30)26-20(23)19(16)17/h2*4-13H,14-15H2,1-3H3,(H2,26,29)(H,28,30);3-12,29H,13-14H2,1-2H3,(H2,25,28)(H,27,30);6-10,13H,3-5,11-12,14-15H2,1-2H3,(H2,24,27)(H,26,29);5-9,12,14H,3-4,10-11,13,15,24H2,1-2H3,(H,26,28);7-12H,5-6,13-14H2,1-4H3,(H2,23,26)(H,25,28)
InChIKeyBHMDULFMRQEBRS-UHFFFAOYSA-N
MW2825.42 g/mol
LogP15.70
Rot. Bonds38

About N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide (PubChem CID 157350594) has the molecular formula C142H162N26O25S6 and a molecular weight of 2825.42 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide
PubChem CID157350594
Molecular FormulaC142H162N26O25S6
Molecular Weight2825.42 g/mol
Exact Mass2823.05
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide
SMILESCC(C)(COc1cccc2c1C(N)=CS(=O)(=O)C2)NC(=O)c1ccnc(N2CCCC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-c2ccccc2O)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCCCC2)c1.CCN(CC)c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1ccc(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)cc1.Cc1cccc(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)c1
InChIInChI=1S/2C25H26N4O4S.C24H24N4O5S.C23H29N5O4S.C23H28N4O4S.C22H29N5O4S/c1-16-6-4-7-17(12-16)20-13-18(10-11-27-20)24(30)28-25(2,3)15-33-21-9-5-8-19-14-34(31,32)29-23(26)22(19)21;1-16-7-9-17(10-8-16)20-13-18(11-12-27-20)24(30)28-25(2,3)15-33-21-6-4-5-19-14-34(31,32)29-23(26)22(19)21;1-24(2,14-33-20-9-5-6-16-13-34(31,32)28-22(25)21(16)20)27-23(30)15-10-11-26-18(12-15)17-7-3-4-8-19(17)29;1-23(2,15-32-18-8-6-7-17-14-33(30,31)27-21(24)20(17)18)26-22(29)16-9-10-25-19(13-16)28-11-4-3-5-12-28;1-23(2,26-22(28)16-8-9-25-20(12-16)27-10-3-4-11-27)15-31-19-7-5-6-17-13-32(29,30)14-18(24)21(17)19;1-5-27(6-2)18-12-15(10-11-24-18)21(28)25-22(3,4)14-31-17-9-7-8-16-13-32(29,30)26-20(23)19(16)17/h2*4-13H,14-15H2,1-3H3,(H2,26,29)(H,28,30);3-12,29H,13-14H2,1-2H3,(H2,25,28)(H,27,30);6-10,13H,3-5,11-12,14-15H2,1-2H3,(H2,24,27)(H,26,29);5-9,12,14H,3-4,10-11,13,15,24H2,1-2H3,(H,26,28);7-12H,5-6,13-14H2,1-4H3,(H2,23,26)(H,25,28)
InChIKeyBHMDULFMRQEBRS-UHFFFAOYSA-N
XLogP15.70
TPSA760.03 Ų
H-Bond Donors13
H-Bond Acceptors40
Rotatable Bonds38
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002825.42
LogP ≤ 515.70
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1040

Analyze N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide (CID 157350594) is N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide is CC(C)(COc1cccc2c1C(N)=CS(=O)(=O)C2)NC(=O)c1ccnc(N2CCCC2)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(-c2ccccc2O)c1.CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)C2)NC(=O)c1ccnc(N2CCCCC2)c1.CCN(CC)c1cc(C(=O)NC(C)(C)COc2cccc3c2C(N)=NS(=O)(=O)C3)ccn1.Cc1ccc(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)cc1.Cc1cccc(-c2cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)C4)ccn2)c1.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
The InChIKey is BHMDULFMRQEBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26N4O4S.C24H24N4O5S.C23H29N5O4S.C23H28N4O4S.C22H29N5O4S/c1-16-6-4-7-17(12-16)20-13-18(10-11-27-20)24(30)28-25(2,3)15-33-21-9-5-8-19-14-34(31,32)29-23(26)22(19)21;1-16-7-9-17(10-8-16)20-13-18(11-12-27-20)24(30)28-25(2,3)15-33-21-6-4-5-19-14-34(31,32)29-23(26)22(19)21;1-24(2,14-33-20-9-5-6-16-13-34(31,32)28-22(25)21(16)20)27-23(30)15-10-11-26-18(12-15)17-7-3-4-8-19(17)29;1-23(2,15-32-18-8-6-7-17-14-33(30,31)27-21(24)20(17)18)26-22(29)16-9-10-25-19(13-16)28-11-4-3-5-12-28;1-23(2,26-22(28)16-8-9-25-20(12-16)27-10-3-4-11-27)15-31-19-7-5-6-17-13-32(29,30)14-18(24)21(17)19;1-5-27(6-2)18-12-15(10-11-24-18)21(28)25-22(3,4)14-31-17-9-7-8-16-13-32(29,30)26-20(23)19(16)17/h2*4-13H,14-15H2,1-3H3,(H2,26,29)(H,28,30);3-12,29H,13-14H2,1-2H3,(H2,25,28)(H,27,30);6-10,13H,3-5,11-12,14-15H2,1-2H3,(H2,24,27)(H,26,29);5-9,12,14H,3-4,10-11,13,15,24H2,1-2H3,(H,26,28);7-12H,5-6,13-14H2,1-4H3,(H2,23,26)(H,25,28).
What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide has a molecular weight of 2825.42 g/mol, XLogP of 15.70, 38 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-2,2-dioxo-1H-isothiochromen-5-yl)oxy]-2-methylpropan-2-yl]-2-pyrrolidin-1-ylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(diethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(2-hydroxyphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(3-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-(4-methylphenyl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxy]-2-methylpropan-2-yl]-2-piperidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 157350594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).