N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide

C27H34ClN5O2 — CID 24962484

About N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide

N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide (PubChem CID 24962484) has the molecular formula C27H34ClN5O2 and a molecular weight of 496.06 g/mol. Its IUPAC name is N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide
• PubChem CID: 24962484
• Molecular Formula: C27H34ClN5O2
• Molecular Weight: 496.06 g/mol
• Exact Mass: 495.24
• IUPAC Name: N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)NCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O
• InChI: InChI=1S/C27H34ClN5O2/c1-27(2,3)26(35)30-12-5-15-32-14-4-6-21(32)18-33-25(34)22-11-13-29-17-23(22)24(31-33)16-19-7-9-20(28)10-8-19/h7-11,13,17,21H,4-6,12,14-16,18H2,1-3H3,(H,30,35)/t21-/m1/s1
• InChIKey: SCPBDGVVEIOOMK-OAQYLSRUSA-N
• XLogP: 4.05
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.06
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide (CID 24962484) is N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2cnccc2c1=O.

What is the InChIKey of N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide?

The InChIKey is SCPBDGVVEIOOMK-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H34ClN5O2/c1-27(2,3)26(35)30-12-5-15-32-14-4-6-21(32)18-33-25(34)22-11-13-29-17-23(22)24(31-33)16-19-7-9-20(28)10-8-19/h7-11,13,17,21H,4-6,12,14-16,18H2,1-3H3,(H,30,35)/t21-/m1/s1.

What are the key properties of N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide?

N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide has a molecular weight of 496.06 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-2-[[4-[(4-chlorophenyl)methyl]-1-oxopyrido[3,4-d]pyridazin-2-yl]methyl]pyrrolidin-1-yl]propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24962484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).