1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

C48H62N10O4 — CID 158309621

About 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one

1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 158309621) has the molecular formula C48H62N10O4 and a molecular weight of 843.09 g/mol. Its IUPAC name is 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
• PubChem CID: 158309621
• Molecular Formula: C48H62N10O4
• Molecular Weight: 843.09 g/mol
• Exact Mass: 842.50
• IUPAC Name: 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
• SMILES: CCc1ccc(CNC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)nc1.CCc1ccc(CNC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)nc1
• InChI: InChI=1S/2C24H31N5O2/c2*1-3-18-4-5-20(25-15-18)16-26-19-8-10-28(11-9-19)12-13-29-23-14-21(31-2)17-27-22(23)6-7-24(29)30/h2*4-7,14-15,17,19,26H,3,8-13,16H2,1-2H3
• InChIKey: GNNDERSGPYEGGF-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 144.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	843.09
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?

The IUPAC name of 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 158309621) is 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

What is the SMILES notation for 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?

The canonical SMILES for 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is CCc1ccc(CNC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)nc1.CCc1ccc(CNC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)nc1.

What is the InChIKey of 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?

The InChIKey is GNNDERSGPYEGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H31N5O2/c2*1-3-18-4-5-20(25-15-18)16-26-19-8-10-28(11-9-19)12-13-29-23-14-21(31-2)17-27-22(23)6-7-24(29)30/h2*4-7,14-15,17,19,26H,3,8-13,16H2,1-2H3.

What are the key properties of 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?

1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 843.09 g/mol, XLogP of 5.23, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(5-ethyl-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 158309621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).