2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

C23H25N5O4 — CID 14003387

IUPAC2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)CNCC(O)COc2ccccc2C#N)cc1
InChIInChI=1S/C23H25N5O4/c1-15-10-21(30)27-28-23(15)16-6-8-18(9-7-16)26-22(31)13-25-12-19(29)14-32-20-5-3-2-4-17(20)11-24/h2-9,15,19,25,29H,10,12-14H2,1H3,(H,26,31)(H,27,30)
InChIKeyYAGNUGFFENXVOH-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.39
Rot. Bonds9

About 2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 14003387) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID14003387
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)CNCC(O)COc2ccccc2C#N)cc1
InChIInChI=1S/C23H25N5O4/c1-15-10-21(30)27-28-23(15)16-6-8-18(9-7-16)26-22(31)13-25-12-19(29)14-32-20-5-3-2-4-17(20)11-24/h2-9,15,19,25,29H,10,12-14H2,1H3,(H,26,31)(H,27,30)
InChIKeyYAGNUGFFENXVOH-UHFFFAOYSA-N
XLogP1.39
TPSA135.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (CID 14003387) is 2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is CC1CC(=O)NN=C1c1ccc(NC(=O)CNCC(O)COc2ccccc2C#N)cc1.
What is the InChIKey of 2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is YAGNUGFFENXVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-15-10-21(30)27-28-23(15)16-6-8-18(9-7-16)26-22(31)13-25-12-19(29)14-32-20-5-3-2-4-17(20)11-24/h2-9,15,19,25,29H,10,12-14H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 435.48 g/mol, XLogP of 1.39, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 14003387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).