5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate

C109H88Cl10N16O19 — CID 167683733

IUPAC5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate
SMILESCCOC(=O)NC(=O)C(C#N)=NNc1cc(Cl)c(Oc2ccc(=O)n(Cc3ccc(OC)cc3)c2)c(Cl)c1.COc1ccc(Cn2cc(Oc3c(Cl)cc(-n4c(C)ccc4C)cc3Cl)ccc2=O)cc1.COc1ccc(Cn2cc(Oc3c(Cl)cc(-n4nc(C#N)c(=O)[nH]c4=O)cc3Cl)ccc2=O)cc1.COc1ccc(Cn2cc(Oc3c(Cl)cc(N)cc3Cl)ccc2=O)cc1.Cc1ccc(C)n1-c1cc(Cl)c(Oc2ccc(=O)[nH]c2)c(Cl)c1
InChIInChI=1S/C25H21Cl2N5O6.C25H22Cl2N2O3.C23H15Cl2N5O5.C19H16Cl2N2O3.C17H14Cl2N2O2/c1-3-37-25(35)29-24(34)21(12-28)31-30-16-10-19(26)23(20(27)11-16)38-18-8-9-22(33)32(14-18)13-15-4-6-17(36-2)7-5-15;1-16-4-5-17(2)29(16)19-12-22(26)25(23(27)13-19)32-21-10-11-24(30)28(15-21)14-18-6-8-20(31-3)9-7-18;1-34-15-4-2-13(3-5-15)11-29-12-16(6-7-20(29)31)35-21-17(24)8-14(9-18(21)25)30-23(33)27-22(32)19(10-26)28-30;1-25-14-4-2-12(3-5-14)10-23-11-15(6-7-18(23)24)26-19-16(20)8-13(22)9-17(19)21;1-10-3-4-11(2)21(10)12-7-14(18)17(15(19)8-12)23-13-5-6-16(22)20-9-13/h4-11,14,30H,3,13H2,1-2H3,(H,29,34,35);4-13,15H,14H2,1-3H3;2-9,12H,11H2,1H3,(H,27,32,33);2-9,11H,10,22H2,1H3;3-9H,1-2H3,(H,20,22)
InChIKeyVXILRXUFTCAVPY-UHFFFAOYSA-N
MW2280.53 g/mol
LogP23.56
Rot. Bonds29

About 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate

5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate (PubChem CID 167683733) has the molecular formula C109H88Cl10N16O19 and a molecular weight of 2280.53 g/mol. Its IUPAC name is 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate.

Molecular Properties

Compound Name5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate
PubChem CID167683733
Molecular FormulaC109H88Cl10N16O19
Molecular Weight2280.53 g/mol
Exact Mass2274.33
IUPAC Name5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate
SMILESCCOC(=O)NC(=O)C(C#N)=NNc1cc(Cl)c(Oc2ccc(=O)n(Cc3ccc(OC)cc3)c2)c(Cl)c1.COc1ccc(Cn2cc(Oc3c(Cl)cc(-n4c(C)ccc4C)cc3Cl)ccc2=O)cc1.COc1ccc(Cn2cc(Oc3c(Cl)cc(-n4nc(C#N)c(=O)[nH]c4=O)cc3Cl)ccc2=O)cc1.COc1ccc(Cn2cc(Oc3c(Cl)cc(N)cc3Cl)ccc2=O)cc1.Cc1ccc(C)n1-c1cc(Cl)c(Oc2ccc(=O)[nH]c2)c(Cl)c1
InChIInChI=1S/C25H21Cl2N5O6.C25H22Cl2N2O3.C23H15Cl2N5O5.C19H16Cl2N2O3.C17H14Cl2N2O2/c1-3-37-25(35)29-24(34)21(12-28)31-30-16-10-19(26)23(20(27)11-16)38-18-8-9-22(33)32(14-18)13-15-4-6-17(36-2)7-5-15;1-16-4-5-17(2)29(16)19-12-22(26)25(23(27)13-19)32-21-10-11-24(30)28(15-21)14-18-6-8-20(31-3)9-7-18;1-34-15-4-2-13(3-5-15)11-29-12-16(6-7-20(29)31)35-21-17(24)8-14(9-18(21)25)30-23(33)27-22(32)19(10-26)28-30;1-25-14-4-2-12(3-5-14)10-23-11-15(6-7-18(23)24)26-19-16(20)8-13(22)9-17(19)21;1-10-3-4-11(2)21(10)12-7-14(18)17(15(19)8-12)23-13-5-6-16(22)20-9-13/h4-11,14,30H,3,13H2,1-2H3,(H,29,34,35);4-13,15H,14H2,1-3H3;2-9,12H,11H2,1H3,(H,27,32,33);2-9,11H,10,22H2,1H3;3-9H,1-2H3,(H,20,22)
InChIKeyVXILRXUFTCAVPY-UHFFFAOYSA-N
XLogP23.56
TPSA434.93 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds29
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002280.53
LogP ≤ 523.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate?
The IUPAC name of 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate (CID 167683733) is 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate.
What is the SMILES notation for 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate?
The canonical SMILES for 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate is CCOC(=O)NC(=O)C(C#N)=NNc1cc(Cl)c(Oc2ccc(=O)n(Cc3ccc(OC)cc3)c2)c(Cl)c1.COc1ccc(Cn2cc(Oc3c(Cl)cc(-n4c(C)ccc4C)cc3Cl)ccc2=O)cc1.COc1ccc(Cn2cc(Oc3c(Cl)cc(-n4nc(C#N)c(=O)[nH]c4=O)cc3Cl)ccc2=O)cc1.COc1ccc(Cn2cc(Oc3c(Cl)cc(N)cc3Cl)ccc2=O)cc1.Cc1ccc(C)n1-c1cc(Cl)c(Oc2ccc(=O)[nH]c2)c(Cl)c1.
What is the InChIKey of 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate?
The InChIKey is VXILRXUFTCAVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N5O6.C25H22Cl2N2O3.C23H15Cl2N5O5.C19H16Cl2N2O3.C17H14Cl2N2O2/c1-3-37-25(35)29-24(34)21(12-28)31-30-16-10-19(26)23(20(27)11-16)38-18-8-9-22(33)32(14-18)13-15-4-6-17(36-2)7-5-15;1-16-4-5-17(2)29(16)19-12-22(26)25(23(27)13-19)32-21-10-11-24(30)28(15-21)14-18-6-8-20(31-3)9-7-18;1-34-15-4-2-13(3-5-15)11-29-12-16(6-7-20(29)31)35-21-17(24)8-14(9-18(21)25)30-23(33)27-22(32)19(10-26)28-30;1-25-14-4-2-12(3-5-14)10-23-11-15(6-7-18(23)24)26-19-16(20)8-13(22)9-17(19)21;1-10-3-4-11(2)21(10)12-7-14(18)17(15(19)8-12)23-13-5-6-16(22)20-9-13/h4-11,14,30H,3,13H2,1-2H3,(H,29,34,35);4-13,15H,14H2,1-3H3;2-9,12H,11H2,1H3,(H,27,32,33);2-9,11H,10,22H2,1H3;3-9H,1-2H3,(H,20,22).
What are the key properties of 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate?
5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate has a molecular weight of 2280.53 g/mol, XLogP of 23.56, 29 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2,6-dichlorophenoxy)-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1-[(4-methoxyphenyl)methyl]pyridin-2-one;5-[2,6-dichloro-4-(2,5-dimethylpyrrol-1-yl)phenoxy]-1H-pyridin-2-one;2-[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile;ethyl N-[2-cyano-2-[[3,5-dichloro-4-[[1-[(4-methoxyphenyl)methyl]-6-oxo-3-pyridinyl]oxy]phenyl]hydrazinylidene]acetyl]carbamate is sourced from PubChem (CID 167683733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).