(NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide

C112H134Cl11N54O22PS6 — CID 172955410

IUPAC(NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide
SMILESC/C(=N\[N+](=O)[O-])N(C)Cc1ccc(Cl)nc1.CCN(Cc1ccc(Cl)nc1)/C(=N/[N+](=O)[O-])NC.CCOP(=O)(SC(C)CC)C1CCN/C1=N/[N+](=O)[O-].CN1CN(C)/C(=N\[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1.N#C/N=C1\CCCN1Cc1ccc(Cl)nc1.N#C/N=C1\SCCN1Cc1ccc(Cl)nc1.N#CNC1=NCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCOCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCOCN1Cc1cnc(Cl)s1.O=[N+]([O-])/N=C1\SCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\SCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN4.C10H14ClN5O2.C10H10ClN5.C10H9ClN4S.C10H20N3O4PS.C9H13ClN6O2S.C9H10ClN5O3.C9H10ClN5O2.2C9H9ClN4O2S.C9H11ClN4O2.C7H8ClN5O3S/c12-10-4-3-9(6-14-10)7-16-5-1-2-11(16)15-8-13;1-3-15(10(12-2)14-16(17)18)7-8-4-5-9(11)13-6-8;11-9-2-1-8(5-14-9)6-16-4-3-13-10(16)15-7-12;11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12;1-4-8(3)19-18(16,17-5-2)9-6-7-11-10(9)12-13(14)15;1-13-5-14(2)9(12-16(17)18)15(6-13)4-7-3-11-8(10)19-7;10-8-2-1-7(3-11-8)4-14-6-18-5-12-9(14)13-15(16)17;10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17;2*10-8-2-1-7(5-11-8)6-13-3-4-17-9(13)12-14(15)16;1-7(12-14(15)16)13(2)6-8-3-4-9(10)11-5-8;8-6-9-1-5(17-6)2-12-4-16-3-10-7(12)11-13(14)15/h3-4,6H,1-2,5,7H2;4-6H,3,7H2,1-2H3,(H,12,14);1-2,5H,3-4,6H2,(H,13,15);1-2,5H,3-4,6H2;8-9H,4-7H2,1-3H3,(H,11,12);3H,4-6H2,1-2H3;1-3H,4-6H2,(H,12,13);1-2,5H,3-4,6H2,(H,11,13);2*1-2,5H,3-4,6H2;3-5H,6H2,1-2H3;1H,2-4H2,(H,10,11)/b15-11+;;;14-10-;;12-9+;;;2*12-9-;12-7+;
InChIKeyYTKVRYSOWHMPAE-IYPIPGHHSA-N
MW3202.02 g/mol
LogP17.70
Rot. Bonds38

About (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide

(NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide (PubChem CID 172955410) has the molecular formula C112H134Cl11N54O22PS6 and a molecular weight of 3202.02 g/mol. Its IUPAC name is (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide.

Molecular Properties

Compound Name(NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide
PubChem CID172955410
Molecular FormulaC112H134Cl11N54O22PS6
Molecular Weight3202.02 g/mol
Exact Mass3194.57
IUPAC Name(NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide
SMILESC/C(=N\[N+](=O)[O-])N(C)Cc1ccc(Cl)nc1.CCN(Cc1ccc(Cl)nc1)/C(=N/[N+](=O)[O-])NC.CCOP(=O)(SC(C)CC)C1CCN/C1=N/[N+](=O)[O-].CN1CN(C)/C(=N\[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1.N#C/N=C1\CCCN1Cc1ccc(Cl)nc1.N#C/N=C1\SCCN1Cc1ccc(Cl)nc1.N#CNC1=NCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCOCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCOCN1Cc1cnc(Cl)s1.O=[N+]([O-])/N=C1\SCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\SCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H11ClN4.C10H14ClN5O2.C10H10ClN5.C10H9ClN4S.C10H20N3O4PS.C9H13ClN6O2S.C9H10ClN5O3.C9H10ClN5O2.2C9H9ClN4O2S.C9H11ClN4O2.C7H8ClN5O3S/c12-10-4-3-9(6-14-10)7-16-5-1-2-11(16)15-8-13;1-3-15(10(12-2)14-16(17)18)7-8-4-5-9(11)13-6-8;11-9-2-1-8(5-14-9)6-16-4-3-13-10(16)15-7-12;11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12;1-4-8(3)19-18(16,17-5-2)9-6-7-11-10(9)12-13(14)15;1-13-5-14(2)9(12-16(17)18)15(6-13)4-7-3-11-8(10)19-7;10-8-2-1-7(3-11-8)4-14-6-18-5-12-9(14)13-15(16)17;10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17;2*10-8-2-1-7(5-11-8)6-13-3-4-17-9(13)12-14(15)16;1-7(12-14(15)16)13(2)6-8-3-4-9(10)11-5-8;8-6-9-1-5(17-6)2-12-4-16-3-10-7(12)11-13(14)15/h3-4,6H,1-2,5,7H2;4-6H,3,7H2,1-2H3,(H,12,14);1-2,5H,3-4,6H2,(H,13,15);1-2,5H,3-4,6H2;8-9H,4-7H2,1-3H3,(H,11,12);3H,4-6H2,1-2H3;1-3H,4-6H2,(H,12,13);1-2,5H,3-4,6H2,(H,11,13);2*1-2,5H,3-4,6H2;3-5H,6H2,1-2H3;1H,2-4H2,(H,10,11)/b15-11+;;;14-10-;;12-9+;;;2*12-9-;12-7+;
InChIKeyYTKVRYSOWHMPAE-IYPIPGHHSA-N
XLogP17.70
TPSA908.80 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds38
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003202.02
LogP ≤ 517.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide with MolForge

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine
CID 172933230
N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
CID 172921431
2-chloro-5-[(2E)-2-(nitromethylidene)imidazolidin-1-yl]pyridine;1-[(6-chloro-3-pyridinyl)methyl]-3-cyano-1,2-dimethylguanidine;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
CID 172975749
[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
CID 172986850
2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-1,3,3-trimethyl-2-nitroguanidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane
CID 172952889
2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;(NE)-N-[1,5-dimethyl-3-(oxolan-3-ylmethyl)-1,3,5-triazinan-2-ylidene]nitramide;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane
CID 172955217
[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide
CID 87900300
2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]-1,3-thiazole;1-[(6-chloro-3-pyridinyl)methyl]-2-cyano-1,3,3-trimethylguanidine;(E)-1-N'-[(6-chloro-3-pyridinyl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine;1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine;(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-(nitromethylidene)-1,3-thiazolidine;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;1-(2-methylsulfanylethyl)-2-(nitromethylidene)imidazolidine;2-(nitromethylidene)-1,3-thiazinane
CID 172928893
(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine
CID 173029281
(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]imidazolidin-2-ylidene]nitramide
CID 172949263
1-[(6-chloro-3-pyridinyl)methyl]-1,3-dimethyl-2-nitroguanidine;N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-cyano-N-methylethanimidamide;(NE)-N-[3-methyl-5-(oxolan-3-ylmethyl)-1,3,5-oxadiazinan-4-ylidene]nitramide
CID 172933184
[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-nitroethanimidamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine
CID 136659602

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide?
The IUPAC name of (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide (CID 172955410) is (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide.
What is the SMILES notation for (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide?
The canonical SMILES for (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide is C/C(=N\[N+](=O)[O-])N(C)Cc1ccc(Cl)nc1.CCN(Cc1ccc(Cl)nc1)/C(=N/[N+](=O)[O-])NC.CCOP(=O)(SC(C)CC)C1CCN/C1=N/[N+](=O)[O-].CN1CN(C)/C(=N\[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1.N#C/N=C1\CCCN1Cc1ccc(Cl)nc1.N#C/N=C1\SCCN1Cc1ccc(Cl)nc1.N#CNC1=NCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCOCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\NCOCN1Cc1cnc(Cl)s1.O=[N+]([O-])/N=C1\SCCN1Cc1ccc(Cl)nc1.O=[N+]([O-])/N=C1\SCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide?
The InChIKey is YTKVRYSOWHMPAE-IYPIPGHHSA-N. The full InChI is InChI=1S/C11H11ClN4.C10H14ClN5O2.C10H10ClN5.C10H9ClN4S.C10H20N3O4PS.C9H13ClN6O2S.C9H10ClN5O3.C9H10ClN5O2.2C9H9ClN4O2S.C9H11ClN4O2.C7H8ClN5O3S/c12-10-4-3-9(6-14-10)7-16-5-1-2-11(16)15-8-13;1-3-15(10(12-2)14-16(17)18)7-8-4-5-9(11)13-6-8;11-9-2-1-8(5-14-9)6-16-4-3-13-10(16)15-7-12;11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12;1-4-8(3)19-18(16,17-5-2)9-6-7-11-10(9)12-13(14)15;1-13-5-14(2)9(12-16(17)18)15(6-13)4-7-3-11-8(10)19-7;10-8-2-1-7(3-11-8)4-14-6-18-5-12-9(14)13-15(16)17;10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17;2*10-8-2-1-7(5-11-8)6-13-3-4-17-9(13)12-14(15)16;1-7(12-14(15)16)13(2)6-8-3-4-9(10)11-5-8;8-6-9-1-5(17-6)2-12-4-16-3-10-7(12)11-13(14)15/h3-4,6H,1-2,5,7H2;4-6H,3,7H2,1-2H3,(H,12,14);1-2,5H,3-4,6H2,(H,13,15);1-2,5H,3-4,6H2;8-9H,4-7H2,1-3H3,(H,11,12);3H,4-6H2,1-2H3;1-3H,4-6H2,(H,12,13);1-2,5H,3-4,6H2,(H,11,13);2*1-2,5H,3-4,6H2;3-5H,6H2,1-2H3;1H,2-4H2,(H,10,11)/b15-11+;;;14-10-;;12-9+;;;2*12-9-;12-7+;.
What are the key properties of (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide?
(NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide has a molecular weight of 3202.02 g/mol, XLogP of 17.70, 38 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]pyrrolidin-2-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]cyanamide;1-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-methyl-2-nitroguanidine;(NE)-N-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]nitramide;N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-N'-nitroethanimidamide;(NE)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide;[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-ylidene]cyanamide;[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide;bis((NZ)-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]nitramide);(NE)-N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5-dimethyl-1,3,5-triazinan-2-ylidene]nitramide;(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3,5-oxadiazinan-4-ylidene]nitramide is sourced from PubChem (CID 172955410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).