8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C22H21N3O4 — CID 131889928

About 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 131889928) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

• Compound Name: 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
• PubChem CID: 131889928
• Molecular Formula: C22H21N3O4
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.15
• IUPAC Name: 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
• SMILES: COc1cccc2c1OCC(C(=O)Nc1cc(-c3ccc(=O)[nH]n3)ccc1C)C2
• InChI: InChI=1S/C22H21N3O4/c1-13-6-7-14(17-8-9-20(26)25-24-17)11-18(13)23-22(27)16-10-15-4-3-5-19(28-2)21(15)29-12-16/h3-9,11,16H,10,12H2,1-2H3,(H,23,27)(H,25,26)
• InChIKey: JCZVZMUUGSBWMN-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 93.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?

The IUPAC name of 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 131889928) is 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

What is the SMILES notation for 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?

The canonical SMILES for 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)Nc1cc(-c3ccc(=O)[nH]n3)ccc1C)C2.

What is the InChIKey of 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?

The InChIKey is JCZVZMUUGSBWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-13-6-7-14(17-8-9-20(26)25-24-17)11-18(13)23-22(27)16-10-15-4-3-5-19(28-2)21(15)29-12-16/h3-9,11,16H,10,12H2,1-2H3,(H,23,27)(H,25,26).

What are the key properties of 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?

8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 131889928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).