1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine

C49H53Cl6N16O8Pd- — CID 162169186

IUPAC1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine
SMILESClc1ncc(Cl)c(Cl)n1.Nc1cccnc1N1CCCCC1=O.O=C1CCCCN1.O=C1CCCCN1c1ncccc1Nc1nc(Cl)ncc1Cl.O=C1CCCCN1c1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1Cl.[CH3-].[Pd]
InChIInChI=1S/C14H13Cl2N5O.C10H11N3O3.C10H13N3O.C5H3ClN2O2.C5H9NO.C4HCl3N2.CH3.Pd/c15-9-8-18-14(16)20-12(9)19-10-4-3-6-17-13(10)21-7-2-1-5-11(21)22;14-9-5-1-2-7-12(9)10-8(13(15)16)4-3-6-11-10;11-8-4-3-6-12-10(8)13-7-2-1-5-9(13)14;6-5-4(8(9)10)2-1-3-7-5;7-5-3-1-2-4-6-5;5-2-1-8-4(7)9-3(2)6;;/h3-4,6,8H,1-2,5,7H2,(H,18,19,20);3-4,6H,1-2,5,7H2;3-4,6H,1-2,5,7,11H2;1-3H;1-4H2,(H,6,7);1H;1H3;/q;;;;;;-1;
InChIKeyMGZFDJIHVJFKJS-UHFFFAOYSA-N
MW1313.20 g/mol
LogP10.94
Rot. Bonds7

About 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine

1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine (PubChem CID 162169186) has the molecular formula C49H53Cl6N16O8Pd- and a molecular weight of 1313.20 g/mol. Its IUPAC name is 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine.

Molecular Properties

Compound Name1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine
PubChem CID162169186
Molecular FormulaC49H53Cl6N16O8Pd-
Molecular Weight1313.20 g/mol
Exact Mass1309.14
IUPAC Name1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine
SMILESClc1ncc(Cl)c(Cl)n1.Nc1cccnc1N1CCCCC1=O.O=C1CCCCN1.O=C1CCCCN1c1ncccc1Nc1nc(Cl)ncc1Cl.O=C1CCCCN1c1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1Cl.[CH3-].[Pd]
InChIInChI=1S/C14H13Cl2N5O.C10H11N3O3.C10H13N3O.C5H3ClN2O2.C5H9NO.C4HCl3N2.CH3.Pd/c15-9-8-18-14(16)20-12(9)19-10-4-3-6-17-13(10)21-7-2-1-5-11(21)22;14-9-5-1-2-7-12(9)10-8(13(15)16)4-3-6-11-10;11-8-4-3-6-12-10(8)13-7-2-1-5-9(13)14;6-5-4(8(9)10)2-1-3-7-5;7-5-3-1-2-4-6-5;5-2-1-8-4(7)9-3(2)6;;/h3-4,6,8H,1-2,5,7H2,(H,18,19,20);3-4,6H,1-2,5,7H2;3-4,6H,1-2,5,7,11H2;1-3H;1-4H2,(H,6,7);1H;1H3;/q;;;;;;-1;
InChIKeyMGZFDJIHVJFKJS-UHFFFAOYSA-N
XLogP10.94
TPSA317.48 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001313.20
LogP ≤ 510.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

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'}

Analyze 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine with MolForge

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Related Compounds

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
carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine
CID 157226992
1-(3-Amino-2-pyridinyl)pyrrolidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]pyrrolidin-2-one;1-(3-nitro-2-pyridinyl)pyrrolidin-2-one;palladium;pyrrolidin-2-one;2,4,5-trichloro-1-methylpyrimidin-1-ium
CID 157385025
2-Chloro-3-nitropyridine;methane;1-methyl-4-(3-nitro-2-pyridinyl)piperazine;1-methylpiperazine;2-(4-methylpiperazin-1-yl)pyridin-3-amine
CID 157673564
carbanide;3-N-(2-chloro-5-iodopyrimidin-4-yl)-2-N,2-N-dimethylpyridine-2,3-diamine;2,4-dichloro-5-iodopyrimidine;N,N-dimethyl-3-nitropyridin-2-amine;2-N,2-N-dimethylpyridine-2,3-diamine;2-fluoro-3-nitropyridine;N-methylmethanamine;palladium
CID 157711440
2-Chloro-5-nitropyridine;1-methyl-4-(5-nitro-2-pyridinyl)piperazine;1-methylpiperazine;6-(4-methylpiperazin-1-yl)pyridin-3-amine
CID 157881346
2-chloro-4-methyl-3-nitropyridine;2-chloro-4-methyl-5-nitropyridine;2-chloro-4-methylpyridin-3-amine;4-methyl-3-nitropyridin-2-amine;4-methyl-5-nitropyridin-2-amine;4-methyl-3-nitro-1H-pyridin-2-one;4-methyl-5-nitro-1H-pyridin-2-one;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methyl-1H-pyridin-2-one
CID 158311811
1-(3-Amino-2-pyridinyl)imidazolidin-2-one;carbanide;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]imidazolidin-2-one;2-fluoro-3-nitropyridine;methane;1-(3-nitro-2-pyridinyl)imidazolidin-2-one;3-(3-nitro-2-pyridinyl)propan-1-amine;palladium;2,4,5-trichloropyrimidine
CID 158571379
2-chloro-6-methyl-3-nitropyridine;2,5-dichloro-N-(2,6-dimethyl-3-pyridinyl)pyrimidin-4-amine;2,6-dimethylpyridin-3-amine;2,4,5-trichloropyrimidine
CID 159014474
N-(3-amino-2-pyridinyl)prop-2-enamide;bis(2-chloro-3-nitropyridine);3-chloropropanoyl chloride;N-(3-nitro-2-pyridinyl)prop-2-enamide
CID 159130378
2-Chloro-3-nitropyridine;methane;1-methyl-4-(3-nitro-2-pyridinyl)piperazine;1-methylpiperazine;2-(4-methylpiperazin-1-yl)pyridin-3-amine
CID 159135991
dicesium;1-(5-amino-2-pyridinyl)piperidin-2-one;2-chloro-5-nitropyridine;hydride;methane;3-methyl-1H-pyridin-2-one;molecular hydrogen;1-(5-nitro-2-pyridinyl)pyridin-2-one;oxido formate
CID 159319095

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine?
The IUPAC name of 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine (CID 162169186) is 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine.
What is the SMILES notation for 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine?
The canonical SMILES for 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine is Clc1ncc(Cl)c(Cl)n1.Nc1cccnc1N1CCCCC1=O.O=C1CCCCN1.O=C1CCCCN1c1ncccc1Nc1nc(Cl)ncc1Cl.O=C1CCCCN1c1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1Cl.[CH3-].[Pd].
What is the InChIKey of 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine?
The InChIKey is MGZFDJIHVJFKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O.C10H11N3O3.C10H13N3O.C5H3ClN2O2.C5H9NO.C4HCl3N2.CH3.Pd/c15-9-8-18-14(16)20-12(9)19-10-4-3-6-17-13(10)21-7-2-1-5-11(21)22;14-9-5-1-2-7-12(9)10-8(13(15)16)4-3-6-11-10;11-8-4-3-6-12-10(8)13-7-2-1-5-9(13)14;6-5-4(8(9)10)2-1-3-7-5;7-5-3-1-2-4-6-5;5-2-1-8-4(7)9-3(2)6;;/h3-4,6,8H,1-2,5,7H2,(H,18,19,20);3-4,6H,1-2,5,7H2;3-4,6H,1-2,5,7,11H2;1-3H;1-4H2,(H,6,7);1H;1H3;/q;;;;;;-1;.
What are the key properties of 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine?
1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine has a molecular weight of 1313.20 g/mol, XLogP of 10.94, 7 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-pyridinyl)piperidin-2-one;carbanide;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]piperidin-2-one;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine is sourced from PubChem (CID 162169186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).