acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane)

C124H119BCl6I2N20O8P2Pd — CID 157088894

IUPACacetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane)
SMILESC.CC#N.CN(C)C(=O)c1ccc(N)cc1.CN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(-c4ccncc4)c3)c(C(N)=O)cn2)cc1.Cl[Pd]Cl.NC(=O)c1cnc(Cl)cc1Cl.NC(=O)c1cnc(Cl)cc1NCc1cccc(-c2ccncc2)c1.NC(=O)c1cnc(Cl)cc1NCc1cccc(I)c1.NCc1cccc(I)c1.OB(O)c1ccncc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26N6O2.C18H15ClN4O.2C18H15P.C13H11ClIN3O.C9H12N2O.C7H8IN.C6H4Cl2N2O.C5H6BNO2.C2H3N.CH4.2ClH.Pd/c1-33(2)27(35)20-6-8-22(9-7-20)32-25-15-24(23(17-31-25)26(28)34)30-16-18-4-3-5-21(14-18)19-10-12-29-13-11-19;19-17-9-16(15(11-23-17)18(20)24)22-10-12-2-1-3-14(8-12)13-4-6-21-7-5-13;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-12-5-11(10(7-18-12)13(16)19)17-6-8-2-1-3-9(15)4-8;1-11(2)9(12)7-3-5-8(10)6-4-7;8-7-3-1-2-6(4-7)5-9;7-4-1-5(8)10-2-3(4)6(9)11;8-6(9)5-1-3-7-4-2-5;1-2-3;;;;/h3-15,17H,16H2,1-2H3,(H2,28,34)(H2,30,31,32);1-9,11H,10H2,(H2,20,24)(H,22,23);2*1-15H;1-5,7H,6H2,(H2,16,19)(H,17,18);3-6H,10H2,1-2H3;1-4H,5,9H2;1-2H,(H2,9,11);1-4,8-9H;1H3;1H4;2*1H;/q;;;;;;;;;;;;;+2/p-2
InChIKeyAEKOPOQGUXDRRG-UHFFFAOYSA-L
MW2663.15 g/mol
LogP23.26
Rot. Bonds27

About acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane)

acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane) (PubChem CID 157088894) has the molecular formula C124H119BCl6I2N20O8P2Pd and a molecular weight of 2663.15 g/mol. Its IUPAC name is acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane).

Molecular Properties

Compound Nameacetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane)
PubChem CID157088894
Molecular FormulaC124H119BCl6I2N20O8P2Pd
Molecular Weight2663.15 g/mol
Exact Mass2658.43
IUPAC Nameacetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane)
SMILESC.CC#N.CN(C)C(=O)c1ccc(N)cc1.CN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(-c4ccncc4)c3)c(C(N)=O)cn2)cc1.Cl[Pd]Cl.NC(=O)c1cnc(Cl)cc1Cl.NC(=O)c1cnc(Cl)cc1NCc1cccc(-c2ccncc2)c1.NC(=O)c1cnc(Cl)cc1NCc1cccc(I)c1.NCc1cccc(I)c1.OB(O)c1ccncc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26N6O2.C18H15ClN4O.2C18H15P.C13H11ClIN3O.C9H12N2O.C7H8IN.C6H4Cl2N2O.C5H6BNO2.C2H3N.CH4.2ClH.Pd/c1-33(2)27(35)20-6-8-22(9-7-20)32-25-15-24(23(17-31-25)26(28)34)30-16-18-4-3-5-21(14-18)19-10-12-29-13-11-19;19-17-9-16(15(11-23-17)18(20)24)22-10-12-2-1-3-14(8-12)13-4-6-21-7-5-13;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-12-5-11(10(7-18-12)13(16)19)17-6-8-2-1-3-9(15)4-8;1-11(2)9(12)7-3-5-8(10)6-4-7;8-7-3-1-2-6(4-7)5-9;7-4-1-5(8)10-2-3(4)6(9)11;8-6(9)5-1-3-7-4-2-5;1-2-3;;;;/h3-15,17H,16H2,1-2H3,(H2,28,34)(H2,30,31,32);1-9,11H,10H2,(H2,20,24)(H,22,23);2*1-15H;1-5,7H,6H2,(H2,16,19)(H,17,18);3-6H,10H2,1-2H3;1-4H,5,9H2;1-2H,(H2,9,11);1-4,8-9H;1H3;1H4;2*1H;/q;;;;;;;;;;;;;+2/p-2
InChIKeyAEKOPOQGUXDRRG-UHFFFAOYSA-L
XLogP23.26
TPSA467.62 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002663.15
LogP ≤ 523.26
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane) with MolForge

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Related Compounds

4-amino-N,N,3-trimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;methane;bis(N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)
CID 159097441
4-amino-N,N,3-trimethylbenzamide;2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;bis(N,N,3-trimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide)
CID 159615965
6-chloro-8-[4-(4-morpholin-4-ylcyclohexyl)anilino]-2H-2,7-naphthyridin-1-one;8-[4-(4-morpholin-4-ylcyclohexyl)anilino]-6-pyrimidin-5-yl-2H-2,7-naphthyridin-1-one;palladium;pyrimidin-5-ylboronic acid;tetrakis(triphenylphosphane)
CID 157312536
sodium;3-[(1S)-1-aminoethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-aminoethyl]-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one;3-[(1S)-1-[(2-amino-5-iodopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one;azane;carbanide;3-[(1S)-1-[(2-chloro-5-iodopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one;2,4-dichloro-5-iodopyrimidine;iodocopper;(2-methoxypyrimidin-5-yl)boronic acid;palladium;tetrakis(triphenylphosphane);dicyanide;hydrate
CID 157759493
1-chloro-4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridine;[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]boronic acid;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine;4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2H-2,7-naphthyridin-1-one;dichloropalladium;4-iodo-2H-2,7-naphthyridin-1-one;N-methylmethanamine;phosphoryl trichloride;bis(triphenylphosphane)
CID 158520052
4-(N-benzoylanilino)-N-methyl-N-(7-oxooctyl)benzamide;4-(N-benzoylanilino)-N-(7-oxooctyl)benzamide;2-(N-(2-chlorophenyl)anilino)-N-(7-oxooctyl)pyrimidine-5-carboxamide;4-(2,6-dimethylanilino)-N-methyl-N-[5-(methylamino)-5-oxopentyl]benzamide;4-(2,6-dimethyl-N-pyrimidin-2-ylanilino)-N-methyl-N-[7-(methylamino)-7-oxoheptyl]benzamide;2-[2,6-di(propan-2-yl)anilino]-N-methyl-N-[7-(methylamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-methyl-N-[7-(methylamino)-7-oxoheptyl]-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide;2-(2-methyl-N-(2-methylphenyl)anilino)-N-(7-oxooctyl)pyrimidine-5-carboxamide
CID 158868636
4-Chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carbonitrile;bis(4-chloro-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide);6-chloro-4-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carbonitrile;oxan-4-amine;4-(oxan-4-yl)aniline
CID 159177010
tert-butyl N-[(3-iodophenyl)methyl]carbamate;bis(tert-butyl N-[(3-pyridin-2-ylphenyl)methyl]carbamate);6-chloro-4-[(3-pyridin-2-ylphenyl)methylamino]pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-2-ylphenyl)methylamino]pyridine-3-carboxamide;ethanol;(3-iodophenyl)methanamine;palladium;(3-pyridin-2-ylphenyl)methanamine;tributyl(pyridin-2-yl)stannane;tetrakis(triphenylphosphane);hydrochloride
CID 161030516
sodium;3-[(1S)-1-aminoethyl]-8-chloro-2-phenylisoquinolin-1-one;3-[(1S)-1-aminoethyl]-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one;3-[(1S)-1-[(2-amino-5-iodopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one;azane;3-[(1S)-1-[(2-chloro-5-iodopyrimidin-4-yl)amino]ethyl]-8-(2-methoxypyrimidin-5-yl)-2-phenylisoquinolin-1-one;2,4-dichloro-5-iodopyrimidine;(2-methoxypyrimidin-5-yl)boronic acid;cyanide;hydrate
CID 162210957

Frequently Asked Questions

What is the IUPAC name of acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane)?
The IUPAC name of acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane) (CID 157088894) is acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane).
What is the SMILES notation for acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane)?
The canonical SMILES for acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane) is C.CC#N.CN(C)C(=O)c1ccc(N)cc1.CN(C)C(=O)c1ccc(Nc2cc(NCc3cccc(-c4ccncc4)c3)c(C(N)=O)cn2)cc1.Cl[Pd]Cl.NC(=O)c1cnc(Cl)cc1Cl.NC(=O)c1cnc(Cl)cc1NCc1cccc(-c2ccncc2)c1.NC(=O)c1cnc(Cl)cc1NCc1cccc(I)c1.NCc1cccc(I)c1.OB(O)c1ccncc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane)?
The InChIKey is AEKOPOQGUXDRRG-UHFFFAOYSA-L. The full InChI is InChI=1S/C27H26N6O2.C18H15ClN4O.2C18H15P.C13H11ClIN3O.C9H12N2O.C7H8IN.C6H4Cl2N2O.C5H6BNO2.C2H3N.CH4.2ClH.Pd/c1-33(2)27(35)20-6-8-22(9-7-20)32-25-15-24(23(17-31-25)26(28)34)30-16-18-4-3-5-21(14-18)19-10-12-29-13-11-19;19-17-9-16(15(11-23-17)18(20)24)22-10-12-2-1-3-14(8-12)13-4-6-21-7-5-13;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-12-5-11(10(7-18-12)13(16)19)17-6-8-2-1-3-9(15)4-8;1-11(2)9(12)7-3-5-8(10)6-4-7;8-7-3-1-2-6(4-7)5-9;7-4-1-5(8)10-2-3(4)6(9)11;8-6(9)5-1-3-7-4-2-5;1-2-3;;;;/h3-15,17H,16H2,1-2H3,(H2,28,34)(H2,30,31,32);1-9,11H,10H2,(H2,20,24)(H,22,23);2*1-15H;1-5,7H,6H2,(H2,16,19)(H,17,18);3-6H,10H2,1-2H3;1-4H,5,9H2;1-2H,(H2,9,11);1-4,8-9H;1H3;1H4;2*1H;/q;;;;;;;;;;;;;+2/p-2.
What are the key properties of acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane)?
acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane) has a molecular weight of 2663.15 g/mol, XLogP of 23.26, 27 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;4-amino-N,N-dimethylbenzamide;6-chloro-4-[(3-iodophenyl)methylamino]pyridine-3-carboxamide;6-chloro-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;dichloropalladium;4,6-dichloropyridine-3-carboxamide;6-[4-(dimethylcarbamoyl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridine-3-carboxamide;(3-iodophenyl)methanamine;methane;pyridin-4-ylboronic acid;bis(triphenylphosphane) is sourced from PubChem (CID 157088894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).