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

C32H30N6O2 — CID 135328335

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

N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzamide (PubChem CID 135328335) has the molecular formula C32H30N6O2 and a molecular weight of 530.63 g/mol. Its IUPAC name is N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzamide
• PubChem CID: 135328335
• Molecular Formula: C32H30N6O2
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.24
• IUPAC Name: N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzamide
• SMILES: Cc1ccc2c(NC(=O)c3ccccc3)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1
• InChI: InChI=1S/C32H30N6O2/c1-21-14-15-24-25(11-5-13-27(24)37-30(39)22-8-3-2-4-9-22)29(21)40-31-26(12-7-18-34-31)28-16-19-35-32(38-28)36-23-10-6-17-33-20-23/h2-5,7-9,11-16,18-19,23,33H,6,10,17,20H2,1H3,(H,37,39)(H,35,36,38)
• InChIKey: BOHQVRVPLKAVQD-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 101.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzamide (CID 135328335) is N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzamide.

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

The canonical SMILES for N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzamide is Cc1ccc2c(NC(=O)c3ccccc3)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1.

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

The InChIKey is BOHQVRVPLKAVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O2/c1-21-14-15-24-25(11-5-13-27(24)37-30(39)22-8-3-2-4-9-22)29(21)40-31-26(12-7-18-34-31)28-16-19-35-32(38-28)36-23-10-6-17-33-20-23/h2-5,7-9,11-16,18-19,23,33H,6,10,17,20H2,1H3,(H,37,39)(H,35,36,38).

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

N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzamide has a molecular weight of 530.63 g/mol, XLogP of 6.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]benzamide is sourced from PubChem (CID 135328335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).