2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide

C17H20N4O2 — CID 91894577

About 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide

2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide (PubChem CID 91894577) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
• PubChem CID: 91894577
• Molecular Formula: C17H20N4O2
• Molecular Weight: 312.37 g/mol
• Exact Mass: 312.16
• IUPAC Name: 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide
• SMILES: Cc1ccc(CNC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1
• InChI: InChI=1S/C17H20N4O2/c1-12-3-5-13(6-4-12)10-18-17(23)21-8-7-15-14(11-21)9-16(22)20(2)19-15/h3-6,9H,7-8,10-11H2,1-2H3,(H,18,23)
• InChIKey: IWMRGNBBZASZFA-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.37
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?

The IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide (CID 91894577) is 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide.

What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?

The canonical SMILES for 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide is Cc1ccc(CNC(=O)N2CCc3nn(C)c(=O)cc3C2)cc1.

What is the InChIKey of 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?

The InChIKey is IWMRGNBBZASZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-3-5-13(6-4-12)10-18-17(23)21-8-7-15-14(11-21)9-16(22)20(2)19-15/h3-6,9H,7-8,10-11H2,1-2H3,(H,18,23).

What are the key properties of 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide?

2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[(4-methylphenyl)methyl]-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 91894577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).