methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate

C19H25ClN4O3 — CID 146207742

IUPACmethyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2ccc(OCC(C)(N)CC(C)C)c(Cl)c2)cnn1
InChIInChI=1S/C19H25ClN4O3/c1-12(2)9-19(3,21)11-27-16-6-5-13(7-15(16)20)14-8-17(24-22-10-14)23-18(25)26-4/h5-8,10,12H,9,11,21H2,1-4H3,(H,23,24,25)
InChIKeyAYYRPJRVMMEOGR-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.12
Rot. Bonds7

About methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate

methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate (PubChem CID 146207742) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate
PubChem CID146207742
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Namemethyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1cc(-c2ccc(OCC(C)(N)CC(C)C)c(Cl)c2)cnn1
InChIInChI=1S/C19H25ClN4O3/c1-12(2)9-19(3,21)11-27-16-6-5-13(7-15(16)20)14-8-17(24-22-10-14)23-18(25)26-4/h5-8,10,12H,9,11,21H2,1-4H3,(H,23,24,25)
InChIKeyAYYRPJRVMMEOGR-UHFFFAOYSA-N
XLogP4.12
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate?
The IUPAC name of methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate (CID 146207742) is methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate?
The canonical SMILES for methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate is COC(=O)Nc1cc(-c2ccc(OCC(C)(N)CC(C)C)c(Cl)c2)cnn1.
What is the InChIKey of methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate?
The InChIKey is AYYRPJRVMMEOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-12(2)9-19(3,21)11-27-16-6-5-13(7-15(16)20)14-8-17(24-22-10-14)23-18(25)26-4/h5-8,10,12H,9,11,21H2,1-4H3,(H,23,24,25).
What are the key properties of methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate?
methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate has a molecular weight of 392.89 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]carbamate is sourced from PubChem (CID 146207742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).