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

C33H37FN6O2 — CID 135327348

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

2-cyclohexyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide (PubChem CID 135327348) has the molecular formula C33H37FN6O2 and a molecular weight of 568.70 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-cyclohexyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide
• PubChem CID: 135327348
• Molecular Formula: C33H37FN6O2
• Molecular Weight: 568.70 g/mol
• Exact Mass: 568.30
• IUPAC Name: 2-cyclohexyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide
• SMILES: Cc1ccc2c(NC(=O)CC3CCCCC3)c(F)ccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1
• InChI: InChI=1S/C33H37FN6O2/c1-21-11-12-24-25(13-14-27(34)30(24)40-29(41)19-22-7-3-2-4-8-22)31(21)42-32-26(10-6-17-36-32)28-15-18-37-33(39-28)38-23-9-5-16-35-20-23/h6,10-15,17-18,22-23,35H,2-5,7-9,16,19-20H2,1H3,(H,40,41)(H,37,38,39)
• InChIKey: GPYMBSPOFPBYKY-UHFFFAOYSA-N
• XLogP: 7.00
• 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	568.70
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-cyclohexyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide (CID 135327348) is 2-cyclohexyl-N-[2-fluoro-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-cyclohexyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide?

The canonical SMILES for 2-cyclohexyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide is Cc1ccc2c(NC(=O)CC3CCCCC3)c(F)ccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1.

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

The InChIKey is GPYMBSPOFPBYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37FN6O2/c1-21-11-12-24-25(13-14-27(34)30(24)40-29(41)19-22-7-3-2-4-8-22)31(21)42-32-26(10-6-17-36-32)28-15-18-37-33(39-28)38-23-9-5-16-35-20-23/h6,10-15,17-18,22-23,35H,2-5,7-9,16,19-20H2,1H3,(H,40,41)(H,37,38,39).

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

2-cyclohexyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide has a molecular weight of 568.70 g/mol, XLogP of 7.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyl-N-[2-fluoro-6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]acetamide is sourced from PubChem (CID 135327348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).