[6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol

C24H28N4O2 — CID 156814722

About [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol

[6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (PubChem CID 156814722) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.

Molecular Properties

• Compound Name: [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
• PubChem CID: 156814722
• Molecular Formula: C24H28N4O2
• Molecular Weight: 404.51 g/mol
• Exact Mass: 404.22
• IUPAC Name: [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol
• SMILES: CNCc1ccccc1-c1ccc(N2CC[C@H](Oc3ccc(C)cn3)C2)c(CO)n1
• InChI: InChI=1S/C24H28N4O2/c1-17-7-10-24(26-13-17)30-19-11-12-28(15-19)23-9-8-21(27-22(23)16-29)20-6-4-3-5-18(20)14-25-2/h3-10,13,19,25,29H,11-12,14-16H2,1-2H3/t19-/m0/s1
• InChIKey: CRWCQMPFSJYCMS-IBGZPJMESA-N
• XLogP: 3.32
• TPSA: 70.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.51
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?

The IUPAC name of [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol (CID 156814722) is [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol.

What is the SMILES notation for [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?

The canonical SMILES for [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is CNCc1ccccc1-c1ccc(N2CC[C@H](Oc3ccc(C)cn3)C2)c(CO)n1.

What is the InChIKey of [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?

The InChIKey is CRWCQMPFSJYCMS-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-7-10-24(26-13-17)30-19-11-12-28(15-19)23-9-8-21(27-22(23)16-29)20-6-4-3-5-18(20)14-25-2/h3-10,13,19,25,29H,11-12,14-16H2,1-2H3/t19-/m0/s1.

What are the key properties of [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol?

[6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol has a molecular weight of 404.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-(methylaminomethyl)phenyl]-3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 156814722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).