2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate

C79H62Cl3N11O17 — CID 158435858

IUPAC2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nnc(C(Cc3ccccc3)n3ccc(-c4cc(Cl)ccc4[N+](=O)[O-])cc3=O)o2)cc1.COC(=O)c1ccc(C(=O)NCC(=O)C(Cc2ccccc2)n2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])cc2=O)cc1.NNC(=O)C(Cc1ccccc1)n1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])cc1=O
InChIInChI=1S/C30H24ClN3O7.C29H21ClN4O6.C20H17ClN4O4/c1-41-30(38)21-9-7-20(8-10-21)29(37)32-18-27(35)26(15-19-5-3-2-4-6-19)33-14-13-22(16-28(33)36)24-17-23(31)11-12-25(24)34(39)40;1-39-29(36)20-9-7-19(8-10-20)27-31-32-28(40-27)25(15-18-5-3-2-4-6-18)33-14-13-21(16-26(33)35)23-17-22(30)11-12-24(23)34(37)38;21-15-6-7-17(25(28)29)16(12-15)14-8-9-24(19(26)11-14)18(20(27)23-22)10-13-4-2-1-3-5-13/h2-14,16-17,26H,15,18H2,1H3,(H,32,37);2-14,16-17,25H,15H2,1H3;1-9,11-12,18H,10,22H2,(H,23,27)
InChIKeyHCFDZXNXUJVROO-UHFFFAOYSA-N
MW1543.78 g/mol
LogP13.24
Rot. Bonds24

About 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate

2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate (PubChem CID 158435858) has the molecular formula C79H62Cl3N11O17 and a molecular weight of 1543.78 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate.

Molecular Properties

Compound Name2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate
PubChem CID158435858
Molecular FormulaC79H62Cl3N11O17
Molecular Weight1543.78 g/mol
Exact Mass1541.34
IUPAC Name2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nnc(C(Cc3ccccc3)n3ccc(-c4cc(Cl)ccc4[N+](=O)[O-])cc3=O)o2)cc1.COC(=O)c1ccc(C(=O)NCC(=O)C(Cc2ccccc2)n2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])cc2=O)cc1.NNC(=O)C(Cc1ccccc1)n1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])cc1=O
InChIInChI=1S/C30H24ClN3O7.C29H21ClN4O6.C20H17ClN4O4/c1-41-30(38)21-9-7-20(8-10-21)29(37)32-18-27(35)26(15-19-5-3-2-4-6-19)33-14-13-22(16-28(33)36)24-17-23(31)11-12-25(24)34(39)40;1-39-29(36)20-9-7-19(8-10-20)27-31-32-28(40-27)25(15-18-5-3-2-4-6-18)33-14-13-21(16-26(33)35)23-17-22(30)11-12-24(23)34(37)38;21-15-6-7-17(25(28)29)16(12-15)14-8-9-24(19(26)11-14)18(20(27)23-22)10-13-4-2-1-3-5-13/h2-14,16-17,26H,15,18H2,1H3,(H,32,37);2-14,16-17,25H,15H2,1H3;1-9,11-12,18H,10,22H2,(H,23,27)
InChIKeyHCFDZXNXUJVROO-UHFFFAOYSA-N
XLogP13.24
TPSA388.23 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001543.78
LogP ≤ 513.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate with MolForge

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Related Compounds

tert-butyl 3-amino-4-[[2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]benzoate
CID 86300784
[2-(4-fluorophenyl)-2-oxoethyl] 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-(4-fluorophenyl)propanoate
CID 86301385
methyl (2S)-2-[4-(2,5-dichlorophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanoate
CID 118106583
ethane;[2-(4-fluorophenyl)-2-oxoethyl] 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-(4-fluorophenyl)propanoate;methane
CID 144729150
4-fluoro-N'-[3-(4-fluorophenyl)-2-[4-(5-methyl-2-nitrophenyl)-2-oxo-1-pyridinyl]propanoyl]benzohydrazide
CID 144729157
methyl 2-[(1S)-1-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-2-phenylethyl]-3H-benzimidazole-5-carboxylate
CID 86301225
4-(5-chloro-2-nitrophenyl)-1-[1-oxo-3-phenyl-1-(2-pyridin-3-ylpiperidin-1-yl)propan-2-yl]pyridin-2-one
CID 86299898
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942628
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942634
4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(1R)-2-(4-fluorophenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-one
CID 118871421
4-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(1S)-2-(4-fluorophenyl)-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]pyridin-2-one
CID 118871409
2-[4-[5-chloro-2-(2,3-dihydrotetrazol-1-yl)phenyl]-2-oxo-1-pyridinyl]-3-phenylpropanoic acid
CID 126663492

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate?
The IUPAC name of 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate (CID 158435858) is 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate.
What is the SMILES notation for 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate?
The canonical SMILES for 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate is COC(=O)c1ccc(-c2nnc(C(Cc3ccccc3)n3ccc(-c4cc(Cl)ccc4[N+](=O)[O-])cc3=O)o2)cc1.COC(=O)c1ccc(C(=O)NCC(=O)C(Cc2ccccc2)n2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])cc2=O)cc1.NNC(=O)C(Cc1ccccc1)n1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])cc1=O.
What is the InChIKey of 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate?
The InChIKey is HCFDZXNXUJVROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClN3O7.C29H21ClN4O6.C20H17ClN4O4/c1-41-30(38)21-9-7-20(8-10-21)29(37)32-18-27(35)26(15-19-5-3-2-4-6-19)33-14-13-22(16-28(33)36)24-17-23(31)11-12-25(24)34(39)40;1-39-29(36)20-9-7-19(8-10-20)27-31-32-28(40-27)25(15-18-5-3-2-4-6-18)33-14-13-21(16-26(33)35)23-17-22(30)11-12-24(23)34(37)38;21-15-6-7-17(25(28)29)16(12-15)14-8-9-24(19(26)11-14)18(20(27)23-22)10-13-4-2-1-3-5-13/h2-14,16-17,26H,15,18H2,1H3,(H,32,37);2-14,16-17,25H,15H2,1H3;1-9,11-12,18H,10,22H2,(H,23,27).
What are the key properties of 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate?
2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate has a molecular weight of 1543.78 g/mol, XLogP of 13.24, 24 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-3-phenylpropanehydrazide;methyl 4-[[3-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-oxo-4-phenylbutyl]carbamoyl]benzoate;methyl 4-[5-[1-[4-(5-chloro-2-nitrophenyl)-2-oxo-1-pyridinyl]-2-phenylethyl]-1,3,4-oxadiazol-2-yl]benzoate is sourced from PubChem (CID 158435858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).