carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane

C40H46Cl3FN17O4Pd- — CID 159020792

IUPACcarbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane
SMILESCCC.CN(C)c1ncccc1N.CN(C)c1ncccc1Nc1nc(Cl)ncc1C#N.CN(C)c1ncccc1[N+](=O)[O-].N#Cc1cnc(Cl)nc1Cl.O=[N+]([O-])c1cccnc1F.[CH3-].[Pd]
InChIInChI=1S/C12H11ClN6.C7H9N3O2.C7H11N3.C5HCl2N3.C5H3FN2O2.C3H8.CH3.Pd/c1-19(2)11-9(4-3-5-15-11)17-10-8(6-14)7-16-12(13)18-10;1-9(2)7-6(10(11)12)4-3-5-8-7;1-10(2)7-6(8)4-3-5-9-7;6-4-3(1-8)2-9-5(7)10-4;6-5-4(8(9)10)2-1-3-7-5;1-3-2;;/h3-5,7H,1-2H3,(H,16,17,18);3-5H,1-2H3;3-5H,8H2,1-2H3;2H;1-3H;3H2,1-2H3;1H3;/q;;;;;;-1;
InChIKeyXZBYAVVICIJQED-UHFFFAOYSA-N
MW1060.70 g/mol
LogP8.64
Rot. Bonds7

About carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane

carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane (PubChem CID 159020792) has the molecular formula C40H46Cl3FN17O4Pd- and a molecular weight of 1060.70 g/mol. Its IUPAC name is carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane.

Molecular Properties

Compound Namecarbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane
PubChem CID159020792
Molecular FormulaC40H46Cl3FN17O4Pd-
Molecular Weight1060.70 g/mol
Exact Mass1058.20
IUPAC Namecarbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane
SMILESCCC.CN(C)c1ncccc1N.CN(C)c1ncccc1Nc1nc(Cl)ncc1C#N.CN(C)c1ncccc1[N+](=O)[O-].N#Cc1cnc(Cl)nc1Cl.O=[N+]([O-])c1cccnc1F.[CH3-].[Pd]
InChIInChI=1S/C12H11ClN6.C7H9N3O2.C7H11N3.C5HCl2N3.C5H3FN2O2.C3H8.CH3.Pd/c1-19(2)11-9(4-3-5-15-11)17-10-8(6-14)7-16-12(13)18-10;1-9(2)7-6(10(11)12)4-3-5-8-7;1-10(2)7-6(8)4-3-5-9-7;6-4-3(1-8)2-9-5(7)10-4;6-5-4(8(9)10)2-1-3-7-5;1-3-2;;/h3-5,7H,1-2H3,(H,16,17,18);3-5H,1-2H3;3-5H,8H2,1-2H3;2H;1-3H;3H2,1-2H3;1H3;/q;;;;;;-1;
InChIKeyXZBYAVVICIJQED-UHFFFAOYSA-N
XLogP8.64
TPSA284.75 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001060.70
LogP ≤ 58.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
2-Chloro-6-propan-2-ylpyrazine;2-nitro-6-propan-2-ylpyridine;3-nitro-2-propan-2-ylpyridine;5-nitro-2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 160761550
2-N-[6-(methylamino)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2,3-diamine;N-methyl-5-nitropyridin-2-amine;2-N-methyl-5-N-[3-nitro-5-(trifluoromethyl)-2-pyridinyl]pyridine-2,5-diamine;2-N-methylpyridine-2,5-diamine
CID 161885958
N-(5-chloro-2-pyridinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22531239
N-(5-chloro-2-pyridinyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22531240
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 22538254
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 22538255
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 22538408
N-(2-chloro-3-pyridinyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22538474
N-(2-chloro-3-pyridinyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-amine
CID 22538511
1-(5-Nitro-2-pyridinyl)-4-pyridin-4-ylpiperazine;6-(4-pyridin-4-ylpiperazin-1-yl)pyridin-3-amine
CID 157081232
carbanide;5-chloro-4-N-[2-(dimethylamino)-3-pyridinyl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine;3-N-(2,5-dichloro-4-pyridinyl)-2-N,2-N-dimethylpyridine-2,3-diamine;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;4-(4-methylpiperazin-1-yl)aniline;palladium;2,4,5-trichloropyrimidine
CID 157106468

Frequently Asked Questions

What is the IUPAC name of carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane?
The IUPAC name of carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane (CID 159020792) is carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane.
What is the SMILES notation for carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane?
The canonical SMILES for carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane is CCC.CN(C)c1ncccc1N.CN(C)c1ncccc1Nc1nc(Cl)ncc1C#N.CN(C)c1ncccc1[N+](=O)[O-].N#Cc1cnc(Cl)nc1Cl.O=[N+]([O-])c1cccnc1F.[CH3-].[Pd].
What is the InChIKey of carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane?
The InChIKey is XZBYAVVICIJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6.C7H9N3O2.C7H11N3.C5HCl2N3.C5H3FN2O2.C3H8.CH3.Pd/c1-19(2)11-9(4-3-5-15-11)17-10-8(6-14)7-16-12(13)18-10;1-9(2)7-6(10(11)12)4-3-5-8-7;1-10(2)7-6(8)4-3-5-9-7;6-4-3(1-8)2-9-5(7)10-4;6-5-4(8(9)10)2-1-3-7-5;1-3-2;;/h3-5,7H,1-2H3,(H,16,17,18);3-5H,1-2H3;3-5H,8H2,1-2H3;2H;1-3H;3H2,1-2H3;1H3;/q;;;;;;-1;.
What are the key properties of carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane?
carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane has a molecular weight of 1060.70 g/mol, XLogP of 8.64, 7 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-chloro-4-[[2-(dimethylamino)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;2,4-dichloropyrimidine-5-carbonitrile;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;palladium;propane is sourced from PubChem (CID 159020792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).