2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide

C36H31Cl3N8O6 — CID 167550035

IUPAC2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide
SMILESClc1cccc(COc2ccc(Cl)nc2)c1.Cn1nc(C(=O)Nc2ccc(OCc3cccc(Cl)c3)cn2)ccc1=O.Cn1nc(C(N)=O)ccc1=O
InChIInChI=1S/C18H15ClN4O3.C12H9Cl2NO.C6H7N3O2/c1-23-17(24)8-6-15(22-23)18(25)21-16-7-5-14(10-20-16)26-11-12-3-2-4-13(19)9-12;13-10-3-1-2-9(6-10)8-16-11-4-5-12(14)15-7-11;1-9-5(10)3-2-4(8-9)6(7)11/h2-10H,11H2,1H3,(H,20,21,25);1-7H,8H2;2-3H,1H3,(H2,7,11)
InChIKeyCGZIYVCBCLIWAK-UHFFFAOYSA-N
MW778.05 g/mol
LogP5.51
Rot. Bonds9

About 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide

2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 167550035) has the molecular formula C36H31Cl3N8O6 and a molecular weight of 778.05 g/mol. Its IUPAC name is 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID167550035
Molecular FormulaC36H31Cl3N8O6
Molecular Weight778.05 g/mol
Exact Mass776.14
IUPAC Name2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide
SMILESClc1cccc(COc2ccc(Cl)nc2)c1.Cn1nc(C(=O)Nc2ccc(OCc3cccc(Cl)c3)cn2)ccc1=O.Cn1nc(C(N)=O)ccc1=O
InChIInChI=1S/C18H15ClN4O3.C12H9Cl2NO.C6H7N3O2/c1-23-17(24)8-6-15(22-23)18(25)21-16-7-5-14(10-20-16)26-11-12-3-2-4-13(19)9-12;13-10-3-1-2-9(6-10)8-16-11-4-5-12(14)15-7-11;1-9-5(10)3-2-4(8-9)6(7)11/h2-10H,11H2,1H3,(H,20,21,25);1-7H,8H2;2-3H,1H3,(H2,7,11)
InChIKeyCGZIYVCBCLIWAK-UHFFFAOYSA-N
XLogP5.51
TPSA186.21 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500778.05
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide with MolForge

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Related Compounds

1-(3-Benzyloxypyridin-2-yl)-3-(3-chlorophenyl)urea
CID 4128827
3-Chloro-N-(4-(pyridin-3-yloxy)pyridin-2-yl)benzamide
CID 51037724
3-chloro-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide
CID 58349181
US11773078, Example 250
CID 146241322
1-(3-Benzyloxy-2-pyridyl)-3-(4-chlorophenyl)urea
CID 11660364
3-(3-Chloro-2,6-difluorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
CID 118400021
N-[5-[4-[[1-[(4-chlorophenyl)methyl]-5-ethyl-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]-2-pyridinyl]acetamide
CID 118945419
US11773078, Example 31
CID 146241861
1-[3-[(2-Chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea
CID 72545171
1-(3-Chlorophenyl)-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
CID 72545410
1-[3-[(3-Chlorophenyl)methoxy]-2-pyridinyl]-3-phenylurea
CID 72545412
1-[3-[(3-Chlorophenyl)methoxy]-2-pyridinyl]-3-cycloheptylurea
CID 72545668

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide (CID 167550035) is 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide is Clc1cccc(COc2ccc(Cl)nc2)c1.Cn1nc(C(=O)Nc2ccc(OCc3cccc(Cl)c3)cn2)ccc1=O.Cn1nc(C(N)=O)ccc1=O.
What is the InChIKey of 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is CGZIYVCBCLIWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3.C12H9Cl2NO.C6H7N3O2/c1-23-17(24)8-6-15(22-23)18(25)21-16-7-5-14(10-20-16)26-11-12-3-2-4-13(19)9-12;13-10-3-1-2-9(6-10)8-16-11-4-5-12(14)15-7-11;1-9-5(10)3-2-4(8-9)6(7)11/h2-10H,11H2,1H3,(H,20,21,25);1-7H,8H2;2-3H,1H3,(H2,7,11).
What are the key properties of 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide?
2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 778.05 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-chlorophenyl)methoxy]pyridine;N-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide;1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 167550035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).