2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

C25H26N4O4 — CID 14003407

IUPAC2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C1CCC(c2ccc(NC(=O)CNCC(O)COc3cccc4ccccc34)cc2)=NN1
InChIInChI=1S/C25H26N4O4/c30-20(16-33-23-7-3-5-17-4-1-2-6-21(17)23)14-26-15-25(32)27-19-10-8-18(9-11-19)22-12-13-24(31)29-28-22/h1-11,20,26,30H,12-16H2,(H,27,32)(H,29,31)
InChIKeyMKMHCSOVYFTWFJ-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.42
Rot. Bonds9

About 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 14003407) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID14003407
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESO=C1CCC(c2ccc(NC(=O)CNCC(O)COc3cccc4ccccc34)cc2)=NN1
InChIInChI=1S/C25H26N4O4/c30-20(16-33-23-7-3-5-17-4-1-2-6-21(17)23)14-26-15-25(32)27-19-10-8-18(9-11-19)22-12-13-24(31)29-28-22/h1-11,20,26,30H,12-16H2,(H,27,32)(H,29,31)
InChIKeyMKMHCSOVYFTWFJ-UHFFFAOYSA-N
XLogP2.42
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (CID 14003407) is 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is O=C1CCC(c2ccc(NC(=O)CNCC(O)COc3cccc4ccccc34)cc2)=NN1.
What is the InChIKey of 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is MKMHCSOVYFTWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-20(16-33-23-7-3-5-17-4-1-2-6-21(17)23)14-26-15-25(32)27-19-10-8-18(9-11-19)22-12-13-24(31)29-28-22/h1-11,20,26,30H,12-16H2,(H,27,32)(H,29,31).
What are the key properties of 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 446.51 g/mol, XLogP of 2.42, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 14003407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).