3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide

About 3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide

3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 15016354) has the molecular formula C19H25ClN4O5 and a molecular weight of 424.89 g/mol. Its IUPAC name is 3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name	3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID	15016354
Molecular Formula	C19H25ClN4O5
Molecular Weight	424.89 g/mol
Exact Mass	424.15
IUPAC Name	3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILES	CC(C)(C)ONC(=O)CCNC(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl
InChI	InChI=1S/C19H25ClN4O5/c1-19(2,3)29-24-17(26)8-9-21-18(27)11-28-15-6-4-12(10-13(15)20)14-5-7-16(25)23-22-14/h4,6,10H,5,7-9,11H2,1-3H3,(H,21,27)(H,23,25)(H,24,26)
InChIKey	QQUVQQLLELRZTI-UHFFFAOYSA-N
XLogP	1.69
TPSA	118.12 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.89
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide?

The IUPAC name of 3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide (CID 15016354) is 3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide.

What is the SMILES notation for 3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide?

The canonical SMILES for 3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide is CC(C)(C)ONC(=O)CCNC(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl.

What is the InChIKey of 3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide?

The InChIKey is QQUVQQLLELRZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O5/c1-19(2,3)29-24-17(26)8-9-21-18(27)11-28-15-6-4-12(10-13(15)20)14-5-7-16(25)23-22-14/h4,6,10H,5,7-9,11H2,1-3H3,(H,21,27)(H,23,25)(H,24,26).

What are the key properties of 3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide?

3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 424.89 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 15016354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).