N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine

C34H51N5O3 — CID 163425628

About N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine

N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine (PubChem CID 163425628) has the molecular formula C34H51N5O3 and a molecular weight of 577.81 g/mol. Its IUPAC name is N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine.

Molecular Properties

• Compound Name: N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine
• PubChem CID: 163425628
• Molecular Formula: C34H51N5O3
• Molecular Weight: 577.81 g/mol
• Exact Mass: 577.40
• IUPAC Name: N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine
• SMILES: COC1CN(Cc2nc(C(C)C)ccc2C2COC(CN(C)C3CN(c4nc(C(C)C)ccc4[C@@H]4CCOC4)C3)C2)C1
• InChI: InChI=1S/C34H51N5O3/c1-22(2)31-9-7-29(33(35-31)19-38-17-28(18-38)40-6)25-13-27(42-21-25)16-37(5)26-14-39(15-26)34-30(24-11-12-41-20-24)8-10-32(36-34)23(3)4/h7-10,22-28H,11-21H2,1-6H3/t24-,25?,27?/m1/s1
• InChIKey: AMGGTBVMSYMHJQ-VTRCLXOYSA-N
• XLogP: 4.75
• TPSA: 63.19 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.81
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine?

The IUPAC name of N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine (CID 163425628) is N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine.

What is the SMILES notation for N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine?

The canonical SMILES for N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine is COC1CN(Cc2nc(C(C)C)ccc2C2COC(CN(C)C3CN(c4nc(C(C)C)ccc4[C@@H]4CCOC4)C3)C2)C1.

What is the InChIKey of N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine?

The InChIKey is AMGGTBVMSYMHJQ-VTRCLXOYSA-N. The full InChI is InChI=1S/C34H51N5O3/c1-22(2)31-9-7-29(33(35-31)19-38-17-28(18-38)40-6)25-13-27(42-21-25)16-37(5)26-14-39(15-26)34-30(24-11-12-41-20-24)8-10-32(36-34)23(3)4/h7-10,22-28H,11-21H2,1-6H3/t24-,25?,27?/m1/s1.

What are the key properties of N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine?

N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine has a molecular weight of 577.81 g/mol, XLogP of 4.75, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-[(3-methoxyazetidin-1-yl)methyl]-6-propan-2-yl-3-pyridinyl]oxolan-2-yl]methyl]-N-methyl-1-[3-[(3S)-oxolan-3-yl]-6-propan-2-yl-2-pyridinyl]azetidin-3-amine is sourced from PubChem (CID 163425628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).