N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide

C203H260N42O20S7 — CID 164977298

IUPACN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CCC2c2ccc3sc(C4CCN(C)CC4C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@@H]4C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@H]4C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@@H]4C)nc3c2)cnc1N.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@H]4C)nc3c2)cc1C(N)=O
InChIInChI=1S/3C29H36N6O4S.4C29H38N6O2S/c3*1-16-5-7-23(18-6-8-24-22(11-18)33-28(40-24)20-9-10-34(3)15-17(20)2)35(14-16)29(38)26(37)32-19-12-21(25(30)36)27(39-4)31-13-19;4*1-5-19-12-21(14-31-26(19)30)32-27(36)29(37)35-15-17(2)6-8-24(35)20-7-9-25-23(13-20)33-28(38-25)22-10-11-34(4)16-18(22)3/h3*6,8,11-13,16-17,20,23H,5,7,9-10,14-15H2,1-4H3,(H2,30,36)(H,32,37);4*7,9,12-14,17-18,22,24H,5-6,8,10-11,15-16H2,1-4H3,(H2,30,31)(H,32,36)/t16-,17+,20+,23+;16-,17+,20-,23+;16-,17-,20-,23+;17-,18?,22?,24?;17-,18+,22+,24+;17-,18-,22+,24+;17-,18-,22-,24+/m0000000/s1
InChIKeyDYVBWNMKDRVYSG-BUDXNENCSA-N
MW3833.06 g/mol
LogP30.69
Rot. Bonds31

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (PubChem CID 164977298) has the molecular formula C203H260N42O20S7 and a molecular weight of 3833.06 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
PubChem CID164977298
Molecular FormulaC203H260N42O20S7
Molecular Weight3833.06 g/mol
Exact Mass3829.87
IUPAC NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CCC2c2ccc3sc(C4CCN(C)CC4C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@@H]4C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@H]4C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@@H]4C)nc3c2)cnc1N.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@H]4C)nc3c2)cc1C(N)=O
InChIInChI=1S/3C29H36N6O4S.4C29H38N6O2S/c3*1-16-5-7-23(18-6-8-24-22(11-18)33-28(40-24)20-9-10-34(3)15-17(20)2)35(14-16)29(38)26(37)32-19-12-21(25(30)36)27(39-4)31-13-19;4*1-5-19-12-21(14-31-26(19)30)32-27(36)29(37)35-15-17(2)6-8-24(35)20-7-9-25-23(13-20)33-28(38-25)22-10-11-34(4)16-18(22)3/h3*6,8,11-13,16-17,20,23H,5,7,9-10,14-15H2,1-4H3,(H2,30,36)(H,32,37);4*7,9,12-14,17-18,22,24H,5-6,8,10-11,15-16H2,1-4H3,(H2,30,31)(H,32,36)/t16-,17+,20+,23+;16-,17+,20-,23+;16-,17-,20-,23+;17-,18?,22?,24?;17-,18+,22+,24+;17-,18-,22+,24+;17-,18-,22-,24+/m0000000/s1
InChIKeyDYVBWNMKDRVYSG-BUDXNENCSA-N
XLogP30.69
TPSA810.05 Ų
H-Bond Donors14
H-Bond Acceptors52
Rotatable Bonds31
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003833.06
LogP ≤ 530.69
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1052

Analyze N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide (CID 164977298) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CCC2c2ccc3sc(C4CCN(C)CC4C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@@H]4C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@H]4C)nc3c2)cnc1N.CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@@H]4C)nc3c2)cnc1N.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@@H]4CCN(C)C[C@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@@H]4C)nc3c2)cc1C(N)=O.COc1ncc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@H]2c2ccc3sc([C@H]4CCN(C)C[C@H]4C)nc3c2)cc1C(N)=O.
What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
The InChIKey is DYVBWNMKDRVYSG-BUDXNENCSA-N. The full InChI is InChI=1S/3C29H36N6O4S.4C29H38N6O2S/c3*1-16-5-7-23(18-6-8-24-22(11-18)33-28(40-24)20-9-10-34(3)15-17(20)2)35(14-16)29(38)26(37)32-19-12-21(25(30)36)27(39-4)31-13-19;4*1-5-19-12-21(14-31-26(19)30)32-27(36)29(37)35-15-17(2)6-8-24(35)20-7-9-25-23(13-20)33-28(38-25)22-10-11-34(4)16-18(22)3/h3*6,8,11-13,16-17,20,23H,5,7,9-10,14-15H2,1-4H3,(H2,30,36)(H,32,37);4*7,9,12-14,17-18,22,24H,5-6,8,10-11,15-16H2,1-4H3,(H2,30,31)(H,32,36)/t16-,17+,20+,23+;16-,17+,20-,23+;16-,17-,20-,23+;17-,18?,22?,24?;17-,18+,22+,24+;17-,18-,22+,24+;17-,18-,22-,24+/m0000000/s1.
What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide?
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide has a molecular weight of 3833.06 g/mol, XLogP of 30.69, 31 rotatable bonds, 14 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(5S)-2-[2-(1,3-dimethylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetamide;5-[[2-[(2R,5S)-2-[2-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;5-[[2-[(2R,5S)-2-[2-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1,3-benzothiazol-5-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 164977298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).