methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate

C20H20Cl2N2O4 — CID 166332647

IUPACmethyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)cc(C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)n1
InChIInChI=1S/C20H20Cl2N2O4/c1-27-14-9-16(23-17(10-14)19(26)28-2)18(25)24-20(6-3-7-20)11-12-4-5-13(21)8-15(12)22/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,24,25)
InChIKeyWWPGWDGNBWRTJM-UHFFFAOYSA-N
MW423.30 g/mol
LogP4.08
Rot. Bonds6

About methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate

methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate (PubChem CID 166332647) has the molecular formula C20H20Cl2N2O4 and a molecular weight of 423.30 g/mol. Its IUPAC name is methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate
PubChem CID166332647
Molecular FormulaC20H20Cl2N2O4
Molecular Weight423.30 g/mol
Exact Mass422.08
IUPAC Namemethyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC)cc(C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)n1
InChIInChI=1S/C20H20Cl2N2O4/c1-27-14-9-16(23-17(10-14)19(26)28-2)18(25)24-20(6-3-7-20)11-12-4-5-13(21)8-15(12)22/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,24,25)
InChIKeyWWPGWDGNBWRTJM-UHFFFAOYSA-N
XLogP4.08
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-1-methylpyrazole-4-carboxylate
CID 166332702
methyl 5-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]-2-methylpyridine-3-carboxylate
CID 166332606
2-(6-chloropyrazin-2-yl)oxy-N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]acetamide
CID 166332649
N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-4-carboxamide
CID 166332681
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-[2-(dimethylcarbamoyl)-4-pyridinyl]oxamide
CID 166332692
methyl 3-[4-[[2-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-2-oxoacetyl]amino]phenyl]propanoate
CID 167764169
N-[4-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]amino]-4-oxobutyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166332630
3-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 166332697
methyl 6-chloro-4-methoxypyridine-2-carboxylate
CID 45489866
N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-oxo-1H-2-benzofuran-1-carboxamide
CID 166332653
N-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-3-methyltriazole-4-sulfonamide
CID 167921327
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide
CID 166332599

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate (CID 166332647) is methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate is COC(=O)c1cc(OC)cc(C(=O)NC2(Cc3ccc(Cl)cc3Cl)CCC2)n1.
What is the InChIKey of methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate?
The InChIKey is WWPGWDGNBWRTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O4/c1-27-14-9-16(23-17(10-14)19(26)28-2)18(25)24-20(6-3-7-20)11-12-4-5-13(21)8-15(12)22/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,24,25).
What are the key properties of methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate?
methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate has a molecular weight of 423.30 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]carbamoyl]-4-methoxypyridine-2-carboxylate is sourced from PubChem (CID 166332647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).