N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile

C56H50F18N18O2 — CID 159473158

IUPACN,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESCC(CNc1ccc(C(F)(F)F)cn1)Nc1ccc(C(F)(F)F)cn1.FC(F)(F)c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1.N#Cc1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1.O=[N+]([O-])c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C15H14F6N4.C14H12F6N4.C14H12F3N5.C13H12F3N5O2/c1-9(25-13-5-3-11(8-24-13)15(19,20)21)6-22-12-4-2-10(7-23-12)14(16,17)18;15-13(16,17)9-1-3-11(23-7-9)21-5-6-22-12-4-2-10(8-24-12)14(18,19)20;15-14(16,17)11-2-4-13(22-9-11)20-6-5-19-12-3-1-10(7-18)8-21-12;14-13(15,16)9-1-3-11(19-7-9)17-5-6-18-12-4-2-10(8-20-12)21(22)23/h2-5,7-9H,6H2,1H3,(H,22,23)(H,24,25);1-4,7-8H,5-6H2,(H,21,23)(H,22,24);1-4,8-9H,5-6H2,(H,19,21)(H,20,22);1-4,7-8H,5-6H2,(H,17,19)(H,18,20)
InChIKeyXVNAPSDSEBKHRX-UHFFFAOYSA-N
MW1349.10 g/mol
LogP14.28
Rot. Bonds21

About N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile

N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 159473158) has the molecular formula C56H50F18N18O2 and a molecular weight of 1349.10 g/mol. Its IUPAC name is N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound NameN,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID159473158
Molecular FormulaC56H50F18N18O2
Molecular Weight1349.10 g/mol
Exact Mass1348.41
IUPAC NameN,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESCC(CNc1ccc(C(F)(F)F)cn1)Nc1ccc(C(F)(F)F)cn1.FC(F)(F)c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1.N#Cc1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1.O=[N+]([O-])c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C15H14F6N4.C14H12F6N4.C14H12F3N5.C13H12F3N5O2/c1-9(25-13-5-3-11(8-24-13)15(19,20)21)6-22-12-4-2-10(7-23-12)14(16,17)18;15-13(16,17)9-1-3-11(23-7-9)21-5-6-22-12-4-2-10(8-24-12)14(18,19)20;15-14(16,17)11-2-4-13(22-9-11)20-6-5-19-12-3-1-10(7-18)8-21-12;14-13(15,16)9-1-3-11(19-7-9)17-5-6-18-12-4-2-10(8-20-12)21(22)23/h2-5,7-9H,6H2,1H3,(H,22,23)(H,24,25);1-4,7-8H,5-6H2,(H,21,23)(H,22,24);1-4,8-9H,5-6H2,(H,19,21)(H,20,22);1-4,7-8H,5-6H2,(H,17,19)(H,18,20)
InChIKeyXVNAPSDSEBKHRX-UHFFFAOYSA-N
XLogP14.28
TPSA266.29 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001349.10
LogP ≤ 514.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 20601378
N-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-3-nitropyridin-2-amine
CID 66962669
2-N-[4-(4-aminopiperidin-1-yl)-3-fluorophenyl]-3-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
CID 67994968
2-N-[3-fluoro-4-(2-methylpiperidin-1-yl)phenyl]-3-nitro-6-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 67995304
2-N-[2-(3-fluoropiperazin-1-yl)phenyl]-3-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
CID 67995336
2-N-[2-(3-fluoropiperidin-1-yl)phenyl]-3-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
CID 67995584
2-N-methyl-5-N-[3-nitro-5-(trifluoromethyl)pyridin-2-yl]pyridine-2,5-diamine
CID 68323883
5-Amino-3-(trifluoromethyl)pyridine-2-carbonitrile;2-isocyano-3-methyl-5-nitropyridine;2-isocyano-3-methylpyridine
CID 123581396
6-[[6-[(4,4-Difluorocyclohexyl)amino]-3-nitropyridin-2-yl]amino]pyridine-3-carbonitrile
CID 129075760
2-N-[4-(3-fluoro-2-methylpiperidin-1-yl)phenyl]-3-nitro-6-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 140572074
2-N-[4-(4-amino-3-fluoropiperidin-1-yl)phenyl]-3-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
CID 140572113
2-N-[4-(3-fluoropiperidin-1-yl)phenyl]-3-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
CID 140572173

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile (CID 159473158) is N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile is CC(CNc1ccc(C(F)(F)F)cn1)Nc1ccc(C(F)(F)F)cn1.FC(F)(F)c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1.N#Cc1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1.O=[N+]([O-])c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1.
What is the InChIKey of N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is XVNAPSDSEBKHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N4.C14H12F6N4.C14H12F3N5.C13H12F3N5O2/c1-9(25-13-5-3-11(8-24-13)15(19,20)21)6-22-12-4-2-10(7-23-12)14(16,17)18;15-13(16,17)9-1-3-11(23-7-9)21-5-6-22-12-4-2-10(8-24-12)14(18,19)20;15-14(16,17)11-2-4-13(22-9-11)20-6-5-19-12-3-1-10(7-18)8-21-12;14-13(15,16)9-1-3-11(19-7-9)17-5-6-18-12-4-2-10(8-20-12)21(22)23/h2-5,7-9H,6H2,1H3,(H,22,23)(H,24,25);1-4,7-8H,5-6H2,(H,21,23)(H,22,24);1-4,8-9H,5-6H2,(H,19,21)(H,20,22);1-4,7-8H,5-6H2,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 1349.10 g/mol, XLogP of 14.28, 21 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;1-N,2-N-bis[5-(trifluoromethyl)-2-pyridinyl]propane-1,2-diamine;N'-(5-nitro-2-pyridinyl)-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine;6-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 159473158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).