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

C32H36N6O2 — CID 135328275

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

(1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide (PubChem CID 135328275) has the molecular formula C32H36N6O2 and a molecular weight of 536.68 g/mol. Its IUPAC name is (1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: (1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide
• PubChem CID: 135328275
• Molecular Formula: C32H36N6O2
• Molecular Weight: 536.68 g/mol
• Exact Mass: 536.29
• IUPAC Name: (1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide
• SMILES: Cc1ccc2c(NC(=O)[C@@H]3CCCC3C)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1
• InChI: InChI=1S/C32H36N6O2/c1-20-7-3-9-23(20)30(39)37-27-12-4-10-25-24(27)14-13-21(2)29(25)40-31-26(11-6-17-34-31)28-15-18-35-32(38-28)36-22-8-5-16-33-19-22/h4,6,10-15,17-18,20,22-23,33H,3,5,7-9,16,19H2,1-2H3,(H,37,39)(H,35,36,38)/t20?,22?,23-/m1/s1
• InChIKey: JWHCLAHRZNYYHX-IQWMQGJTSA-N
• XLogP: 6.33
• 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	536.68
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide (CID 135328275) is (1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide.

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

The canonical SMILES for (1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide is Cc1ccc2c(NC(=O)[C@@H]3CCCC3C)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1.

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

The InChIKey is JWHCLAHRZNYYHX-IQWMQGJTSA-N. The full InChI is InChI=1S/C32H36N6O2/c1-20-7-3-9-23(20)30(39)37-27-12-4-10-25-24(27)14-13-21(2)29(25)40-31-26(11-6-17-34-31)28-15-18-35-32(38-28)36-22-8-5-16-33-19-22/h4,6,10-15,17-18,20,22-23,33H,3,5,7-9,16,19H2,1-2H3,(H,37,39)(H,35,36,38)/t20?,22?,23-/m1/s1.

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

(1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide has a molecular weight of 536.68 g/mol, XLogP of 6.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 135328275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).