1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one

C24H29N5O3 — CID 143586130

About 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one

1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one (PubChem CID 143586130) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one
• PubChem CID: 143586130
• Molecular Formula: C24H29N5O3
• Molecular Weight: 435.53 g/mol
• Exact Mass: 435.23
• IUPAC Name: 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one
• SMILES: Cc1cnc2ccc(=O)n(CN3CCCC(CNCc4cc5c(cn4)OCCO5)C3)c2c1
• InChI: InChI=1S/C24H29N5O3/c1-17-9-21-20(27-11-17)4-5-24(30)29(21)16-28-6-2-3-18(15-28)12-25-13-19-10-22-23(14-26-19)32-8-7-31-22/h4-5,9-11,14,18,25H,2-3,6-8,12-13,15-16H2,1H3
• InChIKey: PWVWPHNUDULIHF-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.53
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one?

The IUPAC name of 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one (CID 143586130) is 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one.

What is the SMILES notation for 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one?

The canonical SMILES for 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one is Cc1cnc2ccc(=O)n(CN3CCCC(CNCc4cc5c(cn4)OCCO5)C3)c2c1.

What is the InChIKey of 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one?

The InChIKey is PWVWPHNUDULIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-17-9-21-20(27-11-17)4-5-24(30)29(21)16-28-6-2-3-18(15-28)12-25-13-19-10-22-23(14-26-19)32-8-7-31-22/h4-5,9-11,14,18,25H,2-3,6-8,12-13,15-16H2,1H3.

What are the key properties of 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one?

1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one has a molecular weight of 435.53 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]piperidin-1-yl]methyl]-7-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 143586130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).