3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide

C17H26N4O3 — CID 99777982

About 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide

3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide (PubChem CID 99777982) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide
• PubChem CID: 99777982
• Molecular Formula: C17H26N4O3
• Molecular Weight: 334.42 g/mol
• Exact Mass: 334.20
• IUPAC Name: 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide
• SMILES: CC(C)CC(=O)N[C@H](C(=O)N1CCc2n[nH]c(=O)cc2C1)C(C)C
• InChI: InChI=1S/C17H26N4O3/c1-10(2)7-14(22)18-16(11(3)4)17(24)21-6-5-13-12(9-21)8-15(23)20-19-13/h8,10-11,16H,5-7,9H2,1-4H3,(H,18,22)(H,20,23)/t16-/m0/s1
• InChIKey: HJGLVFCHKQFIKG-INIZCTEOSA-N
• XLogP: 0.84
• TPSA: 95.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.42
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide?

The IUPAC name of 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide (CID 99777982) is 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide.

What is the SMILES notation for 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide?

The canonical SMILES for 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide is CC(C)CC(=O)N[C@H](C(=O)N1CCc2n[nH]c(=O)cc2C1)C(C)C.

What is the InChIKey of 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide?

The InChIKey is HJGLVFCHKQFIKG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-10(2)7-14(22)18-16(11(3)4)17(24)21-6-5-13-12(9-21)8-15(23)20-19-13/h8,10-11,16H,5-7,9H2,1-4H3,(H,18,22)(H,20,23)/t16-/m0/s1.

What are the key properties of 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide?

3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide has a molecular weight of 334.42 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(2S)-3-methyl-1-oxo-1-(3-oxo-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-6-yl)butan-2-yl]butanamide is sourced from PubChem (CID 99777982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).