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

C46H48Cl6N16O8Pd — CID 157385025

IUPAC1-(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
SMILESC[n+]1cc(Cl)c(Cl)nc1Cl.Nc1cccnc1N1CCCC1=O.O=C1CCCN1.O=C1CCCN1c1ncccc1Nc1nc(Cl)ncc1Cl.O=C1CCCN1c1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1Cl.[CH3-].[Pd]
InChIInChI=1S/C13H11Cl2N5O.C9H9N3O3.C9H11N3O.C5H4Cl3N2.C5H3ClN2O2.C4H7NO.CH3.Pd/c14-8-7-17-13(15)19-11(8)18-9-3-1-5-16-12(9)20-6-2-4-10(20)21;13-8-4-2-6-11(8)9-7(12(14)15)3-1-5-10-9;10-7-3-1-5-11-9(7)12-6-2-4-8(12)13;1-10-2-3(6)4(7)9-5(10)8;6-5-4(8(9)10)2-1-3-7-5;6-4-2-1-3-5-4;;/h1,3,5,7H,2,4,6H2,(H,17,18,19);1,3,5H,2,4,6H2;1,3,5H,2,4,6,10H2;2H,1H3;1-3H;1-3H2,(H,5,6);1H3;/q;;;+1;;;-1;
InChIKeyKNSREBWWBXUBGS-UHFFFAOYSA-N
MW1272.13 g/mol
LogP8.81
Rot. Bonds7

About 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

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 (PubChem CID 157385025) has the molecular formula C46H48Cl6N16O8Pd and a molecular weight of 1272.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157385025
Molecular FormulaC46H48Cl6N16O8Pd
Molecular Weight1272.13 g/mol
Exact Mass1268.10
IUPAC Name1-(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
SMILESC[n+]1cc(Cl)c(Cl)nc1Cl.Nc1cccnc1N1CCCC1=O.O=C1CCCN1.O=C1CCCN1c1ncccc1Nc1nc(Cl)ncc1Cl.O=C1CCCN1c1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1Cl.[CH3-].[Pd]
InChIInChI=1S/C13H11Cl2N5O.C9H9N3O3.C9H11N3O.C5H4Cl3N2.C5H3ClN2O2.C4H7NO.CH3.Pd/c14-8-7-17-13(15)19-11(8)18-9-3-1-5-16-12(9)20-6-2-4-10(20)21;13-8-4-2-6-11(8)9-7(12(14)15)3-1-5-10-9;10-7-3-1-5-11-9(7)12-6-2-4-8(12)13;1-10-2-3(6)4(7)9-5(10)8;6-5-4(8(9)10)2-1-3-7-5;6-4-2-1-3-5-4;;/h1,3,5,7H,2,4,6H2,(H,17,18,19);1,3,5H,2,4,6H2;1,3,5H,2,4,6,10H2;2H,1H3;1-3H;1-3H2,(H,5,6);1H3;/q;;;+1;;;-1;
InChIKeyKNSREBWWBXUBGS-UHFFFAOYSA-N
XLogP8.81
TPSA308.47 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001272.13
LogP ≤ 58.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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)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
6-chloro-3-cyclopentyl-1H-imidazo[4,5-b]pyridin-2-one;6-chloro-3-cyclopentyl-1-methylimidazo[4,5-b]pyridin-2-one;5-chloro-N-cyclopentyl-3-nitropyridin-2-amine;5-chloro-2-N-cyclopentylpyridine-2,3-diamine;6-chloro-1-methyl-3-[(3R)-pyrrolidin-3-yl]imidazo[4,5-b]pyridin-2-one;cyclopentanamine;2,5-dichloro-3-nitropyridine
CID 158926837
4-N-(4-amino-2-pyridinyl)-5-chloro-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;N-[2-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-4-pyridinyl]prop-2-enamide;2,5-dichloro-N-(4-nitro-2-pyridinyl)pyrimidin-4-amine;2-N-(2,5-dichloropyrimidin-4-yl)pyridine-2,4-diamine;1-methylpyrazol-4-amine;4-nitropyridin-2-amine;2,4,5-trichloropyrimidine
CID 159453416
chloromethylidene(dimethyl)azanium;6-chloro-1-methylimidazo[4,5-c]pyridine;2-chloro-N-methyl-5-nitropyridin-4-amine;6-chloro-4-N-methylpyridine-3,4-diamine;4-chloro-3-nitropyridine;4-chloro-5-nitro-1H-pyridin-2-one;2,4-dichloro-5-nitropyridine;chloride
CID 159890259
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;molecular hydrogen;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,3,6-trichloropyridine
CID 161046366
1-(Aminomethyl)-4-propylpyrrolidin-2-one;1-[[(3-amino-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one;1-(chloromethyl)-4-propylpyrrolidin-2-one;2-chloro-3-nitropyridine;1-(imidazo[4,5-b]pyridin-3-ylmethyl)-4-propylpyrrolidin-2-one;1-[[(3-nitro-2-pyridinyl)amino]methyl]-4-propylpyrrolidin-2-one
CID 161241638
carbanide;3-N-(2,5-dichloropyrimidin-4-yl)-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;N-methylmethanamine;palladium;2,4,5-trichloropyrimidine
CID 161415221
Carbanide;2-chloro-3-nitropyridine;2-chloro-4-[[2-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidine-5-carbonitrile;bis(1-(3-nitro-2-pyridinyl)pyrrolidin-2-one);palladium;pyrrolidin-2-one;2,4,5-trichloro-1-methylpyrimidin-1-ium
CID 161904353
1-(3-Amino-2-pyridinyl)pyrrolidin-2-one;carbanide;1-[3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-2-pyridinyl]pyrrolidin-2-one;2-chloro-3-nitropyridine;1-[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-pyridinyl]pyrrolidin-2-one;4-(4-methylpiperazin-1-yl)aniline;1-(3-nitro-2-pyridinyl)pyrrolidin-2-one;palladium;pyrrolidin-2-one;2,4,5-trichloropyrimidine
CID 161907496
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
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;molecular hydrogen;1-(3-nitro-2-pyridinyl)piperidin-2-one;palladium;piperidin-2-one;2,4,5-trichloropyrimidine
CID 167618868

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[n+]1cc(Cl)c(Cl)nc1Cl.Nc1cccnc1N1CCCC1=O.O=C1CCCN1.O=C1CCCN1c1ncccc1Nc1nc(Cl)ncc1Cl.O=C1CCCN1c1ncccc1[N+](=O)[O-].O=[N+]([O-])c1cccnc1Cl.[CH3-].[Pd].
What is the InChIKey of 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?
The InChIKey is KNSREBWWBXUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N5O.C9H9N3O3.C9H11N3O.C5H4Cl3N2.C5H3ClN2O2.C4H7NO.CH3.Pd/c14-8-7-17-13(15)19-11(8)18-9-3-1-5-16-12(9)20-6-2-4-10(20)21;13-8-4-2-6-11(8)9-7(12(14)15)3-1-5-10-9;10-7-3-1-5-11-9(7)12-6-2-4-8(12)13;1-10-2-3(6)4(7)9-5(10)8;6-5-4(8(9)10)2-1-3-7-5;6-4-2-1-3-5-4;;/h1,3,5,7H,2,4,6H2,(H,17,18,19);1,3,5H,2,4,6H2;1,3,5H,2,4,6,10H2;2H,1H3;1-3H;1-3H2,(H,5,6);1H3;/q;;;+1;;;-1;.
What are the key properties of 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?
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 has a molecular weight of 1272.13 g/mol, XLogP of 8.81, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157385025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).