(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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane

C55H71Cl4F3N28O15S3 — CID 173197290

IUPAC(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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane
SMILESCCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC.CN/C(=N/[N+](=O)[O-])NCC1CCOC1.CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1.CN1COCN(Cc2cnc(Cl)s2)/C1=N/[N+](=O)[O-].N#CCNC(=O)c1cnccc1C(F)(F)F.O=[N+]([O-])/C=C1/NCCCS1.O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN4O2.C9H10ClN5O2.C9H6F3N3O.C8H10ClN5O3S.C7H14N4O3.C6H8ClN5O2S.C5H8N2O2S/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9;10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17;10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13;1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6;1-8-7(10-11(12)13)9-4-6-2-3-14-5-6;1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4;8-7(9)4-5-6-2-1-3-10-5/h4-6,8,13H,3,7H2,1-2H3;1-2,5H,3-4,6H2,(H,11,13);1,3,5H,4H2,(H,15,16);2H,3-5H2,1H3;6H,2-5H2,1H3,(H2,8,9,10);2H,3H2,1H3,(H2,8,10,11);4,6H,1-3H2/b11-8+;;;11-8+;;;5-4-
InChIKeyNJASMOKQNPCJIW-NJTFXAEGSA-N
MW1659.36 g/mol
LogP5.74
Rot. Bonds21

About (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane

(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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane (PubChem CID 173197290) has the molecular formula C55H71Cl4F3N28O15S3 and a molecular weight of 1659.36 g/mol. Its IUPAC name is (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane.

Molecular Properties

Compound Name(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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane
PubChem CID173197290
Molecular FormulaC55H71Cl4F3N28O15S3
Molecular Weight1659.36 g/mol
Exact Mass1656.35
IUPAC Name(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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane
SMILESCCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC.CN/C(=N/[N+](=O)[O-])NCC1CCOC1.CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1.CN1COCN(Cc2cnc(Cl)s2)/C1=N/[N+](=O)[O-].N#CCNC(=O)c1cnccc1C(F)(F)F.O=[N+]([O-])/C=C1/NCCCS1.O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1
InChIInChI=1S/C11H15ClN4O2.C9H10ClN5O2.C9H6F3N3O.C8H10ClN5O3S.C7H14N4O3.C6H8ClN5O2S.C5H8N2O2S/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9;10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17;10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13;1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6;1-8-7(10-11(12)13)9-4-6-2-3-14-5-6;1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4;8-7(9)4-5-6-2-1-3-10-5/h4-6,8,13H,3,7H2,1-2H3;1-2,5H,3-4,6H2,(H,11,13);1,3,5H,4H2,(H,15,16);2H,3-5H2,1H3;6H,2-5H2,1H3,(H2,8,9,10);2H,3H2,1H3,(H2,8,10,11);4,6H,1-3H2/b11-8+;;;11-8+;;;5-4-
InChIKeyNJASMOKQNPCJIW-NJTFXAEGSA-N
XLogP5.74
TPSA541.25 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001659.36
LogP ≤ 55.74
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane?
The IUPAC name of (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane (CID 173197290) is (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane.
What is the SMILES notation for (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane?
The canonical SMILES for (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane is CCN(Cc1ccc(Cl)nc1)/C(=C/[N+](=O)[O-])NC.CN/C(=N/[N+](=O)[O-])NCC1CCOC1.CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1.CN1COCN(Cc2cnc(Cl)s2)/C1=N/[N+](=O)[O-].N#CCNC(=O)c1cnccc1C(F)(F)F.O=[N+]([O-])/C=C1/NCCCS1.O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)nc1.
What is the InChIKey of (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane?
The InChIKey is NJASMOKQNPCJIW-NJTFXAEGSA-N. The full InChI is InChI=1S/C11H15ClN4O2.C9H10ClN5O2.C9H6F3N3O.C8H10ClN5O3S.C7H14N4O3.C6H8ClN5O2S.C5H8N2O2S/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9;10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17;10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13;1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6;1-8-7(10-11(12)13)9-4-6-2-3-14-5-6;1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4;8-7(9)4-5-6-2-1-3-10-5/h4-6,8,13H,3,7H2,1-2H3;1-2,5H,3-4,6H2,(H,11,13);1,3,5H,4H2,(H,15,16);2H,3-5H2,1H3;6H,2-5H2,1H3,(H2,8,9,10);2H,3H2,1H3,(H2,8,10,11);4,6H,1-3H2/b11-8+;;;11-8+;;;5-4-.
What are the key properties of (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane?
(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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane has a molecular weight of 1659.36 g/mol, XLogP of 5.74, 21 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (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;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;N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide;1-methyl-2-nitro-3-(oxolan-3-ylmethyl)guanidine;(2Z)-2-(nitromethylidene)-1,3-thiazinane is sourced from PubChem (CID 173197290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).