2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol

C25H39N3O2 — CID 143580493

About 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol

2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol (PubChem CID 143580493) has the molecular formula C25H39N3O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol.

Molecular Properties

• Compound Name: 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol
• PubChem CID: 143580493
• Molecular Formula: C25H39N3O2
• Molecular Weight: 413.61 g/mol
• Exact Mass: 413.30
• IUPAC Name: 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol
• SMILES: CCCC(CO)Cc1cc(CC)c(-c2ccc(C(C)C)nc2OC)nc1N(C)CC
• InChI: InChI=1S/C25H39N3O2/c1-8-11-18(16-29)14-20-15-19(9-2)23(27-24(20)28(6)10-3)21-12-13-22(17(4)5)26-25(21)30-7/h12-13,15,17-18,29H,8-11,14,16H2,1-7H3
• InChIKey: KLKPKUVFFDBSAP-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 58.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.61
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol?

The IUPAC name of 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol (CID 143580493) is 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol.

What is the SMILES notation for 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol?

The canonical SMILES for 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol is CCCC(CO)Cc1cc(CC)c(-c2ccc(C(C)C)nc2OC)nc1N(C)CC.

What is the InChIKey of 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol?

The InChIKey is KLKPKUVFFDBSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O2/c1-8-11-18(16-29)14-20-15-19(9-2)23(27-24(20)28(6)10-3)21-12-13-22(17(4)5)26-25(21)30-7/h12-13,15,17-18,29H,8-11,14,16H2,1-7H3.

What are the key properties of 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol?

2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol has a molecular weight of 413.61 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-ethyl-2-[ethyl(methyl)amino]-6-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-pyridinyl]methyl]pentan-1-ol is sourced from PubChem (CID 143580493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).