2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide

C34H38N6O2 — CID 135327093

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide (PubChem CID 135327093) has the molecular formula C34H38N6O2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide
• PubChem CID: 135327093
• Molecular Formula: C34H38N6O2
• Molecular Weight: 562.72 g/mol
• Exact Mass: 562.31
• IUPAC Name: 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide
• SMILES: Cc1ccc2c(NC(=O)CC3CC4CCC3C4)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1
• InChI: InChI=1S/C34H38N6O2/c1-21-9-12-26-27(6-2-8-29(26)39-31(41)19-24-18-22-10-11-23(24)17-22)32(21)42-33-28(7-4-15-36-33)30-13-16-37-34(40-30)38-25-5-3-14-35-20-25/h2,4,6-9,12-13,15-16,22-25,35H,3,5,10-11,14,17-20H2,1H3,(H,39,41)(H,37,38,40)
• InChIKey: ZKVRRGMAHBZDSB-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 101.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.72
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide?

The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide (CID 135327093) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide.

What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide?

The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide is Cc1ccc2c(NC(=O)CC3CC4CCC3C4)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1.

What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide?

The InChIKey is ZKVRRGMAHBZDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O2/c1-21-9-12-26-27(6-2-8-29(26)39-31(41)19-24-18-22-10-11-23(24)17-22)32(21)42-33-28(7-4-15-36-33)30-13-16-37-34(40-30)38-25-5-3-14-35-20-25/h2,4,6-9,12-13,15-16,22-25,35H,3,5,10-11,14,17-20H2,1H3,(H,39,41)(H,37,38,40).

What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide?

2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide has a molecular weight of 562.72 g/mol, XLogP of 6.72, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide is sourced from PubChem (CID 135327093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).