lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane

C84H100ClLiN22O13S2 — CID 161392196

IUPAClithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane
SMILESCOC(=O)c1cnccc1Cl.COC(=O)c1cnccc1Nc1cc(-c2cccc(C)n2)c(=O)[nH]c1N(C)C.C[C@H](O)CN.Cc1cccc(-c2cc(N)c(N(C)C)[nH]c2=O)n1.Cc1cccc(-c2cc(Nc3ccncc3C(=O)NC[C@H](C)O)c(N(C)C)[nH]c2=O)n1.Cc1cccc(-c2cc(Nc3ccncc3C(=O)[O-])c(N(C)C)[nH]c2=O)n1.S.S.[Li+]
InChIInChI=1S/C22H26N6O3.C20H21N5O3.C19H19N5O3.C13H16N4O.C7H6ClNO2.C3H9NO.Li.2H2S/c1-13-6-5-7-17(25-13)15-10-19(20(28(3)4)27-22(15)31)26-18-8-9-23-12-16(18)21(30)24-11-14(2)29;1-12-6-5-7-15(22-12)13-10-17(18(25(2)3)24-19(13)26)23-16-8-9-21-11-14(16)20(27)28-4;1-11-5-4-6-14(21-11)12-9-16(17(24(2)3)23-18(12)25)22-15-7-8-20-10-13(15)19(26)27;1-8-5-4-6-11(15-8)9-7-10(14)12(17(2)3)16-13(9)18;1-11-7(10)5-4-9-3-2-6(5)8;1-3(5)2-4;;;/h5-10,12,14,29H,11H2,1-4H3,(H,23,26)(H,24,30)(H,27,31);5-11H,1-4H3,(H,21,23)(H,24,26);4-10H,1-3H3,(H,20,22)(H,23,25)(H,26,27);4-7H,14H2,1-3H3,(H,16,18);2-4H,1H3;3,5H,2,4H2,1H3;;2*1H2/q;;;;;;+1;;/p-1/t14-;;;;;3-;;;/m0....0.../s1
InChIKeyVTDBYVSJYNIDAM-RTCIDIECSA-M
MW1732.39 g/mol
LogP5.58
Rot. Bonds21

About lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane

lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane (PubChem CID 161392196) has the molecular formula C84H100ClLiN22O13S2 and a molecular weight of 1732.39 g/mol. Its IUPAC name is lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane.

Molecular Properties

Compound Namelithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane
PubChem CID161392196
Molecular FormulaC84H100ClLiN22O13S2
Molecular Weight1732.39 g/mol
Exact Mass1730.71
IUPAC Namelithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane
SMILESCOC(=O)c1cnccc1Cl.COC(=O)c1cnccc1Nc1cc(-c2cccc(C)n2)c(=O)[nH]c1N(C)C.C[C@H](O)CN.Cc1cccc(-c2cc(N)c(N(C)C)[nH]c2=O)n1.Cc1cccc(-c2cc(Nc3ccncc3C(=O)NC[C@H](C)O)c(N(C)C)[nH]c2=O)n1.Cc1cccc(-c2cc(Nc3ccncc3C(=O)[O-])c(N(C)C)[nH]c2=O)n1.S.S.[Li+]
InChIInChI=1S/C22H26N6O3.C20H21N5O3.C19H19N5O3.C13H16N4O.C7H6ClNO2.C3H9NO.Li.2H2S/c1-13-6-5-7-17(25-13)15-10-19(20(28(3)4)27-22(15)31)26-18-8-9-23-12-16(18)21(30)24-11-14(2)29;1-12-6-5-7-15(22-12)13-10-17(18(25(2)3)24-19(13)26)23-16-8-9-21-11-14(16)20(27)28-4;1-11-5-4-6-14(21-11)12-9-16(17(24(2)3)23-18(12)25)22-15-7-8-20-10-13(15)19(26)27;1-8-5-4-6-11(15-8)9-7-10(14)12(17(2)3)16-13(9)18;1-11-7(10)5-4-9-3-2-6(5)8;1-3(5)2-4;;;/h5-10,12,14,29H,11H2,1-4H3,(H,23,26)(H,24,30)(H,27,31);5-11H,1-4H3,(H,21,23)(H,24,26);4-10H,1-3H3,(H,20,22)(H,23,25)(H,26,27);4-7H,14H2,1-3H3,(H,16,18);2-4H,1H3;3,5H,2,4H2,1H3;;2*1H2/q;;;;;;+1;;/p-1/t14-;;;;;3-;;;/m0....0.../s1
InChIKeyVTDBYVSJYNIDAM-RTCIDIECSA-M
XLogP5.58
TPSA497.94 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001732.39
LogP ≤ 55.58
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane?
The IUPAC name of lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane (CID 161392196) is lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane.
What is the SMILES notation for lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane?
The canonical SMILES for lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane is COC(=O)c1cnccc1Cl.COC(=O)c1cnccc1Nc1cc(-c2cccc(C)n2)c(=O)[nH]c1N(C)C.C[C@H](O)CN.Cc1cccc(-c2cc(N)c(N(C)C)[nH]c2=O)n1.Cc1cccc(-c2cc(Nc3ccncc3C(=O)NC[C@H](C)O)c(N(C)C)[nH]c2=O)n1.Cc1cccc(-c2cc(Nc3ccncc3C(=O)[O-])c(N(C)C)[nH]c2=O)n1.S.S.[Li+].
What is the InChIKey of lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane?
The InChIKey is VTDBYVSJYNIDAM-RTCIDIECSA-M. The full InChI is InChI=1S/C22H26N6O3.C20H21N5O3.C19H19N5O3.C13H16N4O.C7H6ClNO2.C3H9NO.Li.2H2S/c1-13-6-5-7-17(25-13)15-10-19(20(28(3)4)27-22(15)31)26-18-8-9-23-12-16(18)21(30)24-11-14(2)29;1-12-6-5-7-15(22-12)13-10-17(18(25(2)3)24-19(13)26)23-16-8-9-21-11-14(16)20(27)28-4;1-11-5-4-6-14(21-11)12-9-16(17(24(2)3)23-18(12)25)22-15-7-8-20-10-13(15)19(26)27;1-8-5-4-6-11(15-8)9-7-10(14)12(17(2)3)16-13(9)18;1-11-7(10)5-4-9-3-2-6(5)8;1-3(5)2-4;;;/h5-10,12,14,29H,11H2,1-4H3,(H,23,26)(H,24,30)(H,27,31);5-11H,1-4H3,(H,21,23)(H,24,26);4-10H,1-3H3,(H,20,22)(H,23,25)(H,26,27);4-7H,14H2,1-3H3,(H,16,18);2-4H,1H3;3,5H,2,4H2,1H3;;2*1H2/q;;;;;;+1;;/p-1/t14-;;;;;3-;;;/m0....0.../s1.
What are the key properties of lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane?
lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane has a molecular weight of 1732.39 g/mol, XLogP of 5.58, 21 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-amino-6-(dimethylamino)-3-(6-methyl-2-pyridinyl)-1H-pyridin-2-one;(2S)-1-aminopropan-2-ol;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;methyl 4-chloropyridine-3-carboxylate;methyl 4-[[2-(dimethylamino)-5-(6-methyl-2-pyridinyl)-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate;sulfane is sourced from PubChem (CID 161392196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).