N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide

C23H30FN5O2 — CID 91909576

About N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide

N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 91909576) has the molecular formula C23H30FN5O2 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
• PubChem CID: 91909576
• Molecular Formula: C23H30FN5O2
• Molecular Weight: 427.52 g/mol
• Exact Mass: 427.24
• IUPAC Name: N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
• SMILES: Cn1ncc(N2CCC(C(=O)NCC3CCN(Cc4cccc(F)c4)CC3)C2)cc1=O
• InChI: InChI=1S/C23H30FN5O2/c1-27-22(30)12-21(14-26-27)29-10-7-19(16-29)23(31)25-13-17-5-8-28(9-6-17)15-18-3-2-4-20(24)11-18/h2-4,11-12,14,17,19H,5-10,13,15-16H2,1H3,(H,25,31)
• InChIKey: GULIQQGQHVBSHN-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.52
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide?

The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide (CID 91909576) is N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide.

What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide?

The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide is Cn1ncc(N2CCC(C(=O)NCC3CCN(Cc4cccc(F)c4)CC3)C2)cc1=O.

What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide?

The InChIKey is GULIQQGQHVBSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O2/c1-27-22(30)12-21(14-26-27)29-10-7-19(16-29)23(31)25-13-17-5-8-28(9-6-17)15-18-3-2-4-20(24)11-18/h2-4,11-12,14,17,19H,5-10,13,15-16H2,1H3,(H,25,31).

What are the key properties of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide?

N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91909576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).