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

C32H36N6O2 — CID 135328289

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

(1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide (PubChem CID 135328289) has the molecular formula C32H36N6O2 and a molecular weight of 536.68 g/mol. Its IUPAC name is (1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: (1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide
• PubChem CID: 135328289
• Molecular Formula: C32H36N6O2
• Molecular Weight: 536.68 g/mol
• Exact Mass: 536.29
• IUPAC Name: (1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide
• SMILES: Cc1ccc2c(NC(=O)[C@H]3CCC(C)C3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
• InChI: InChI=1S/C32H36N6O2/c1-20-10-12-22(18-20)30(39)37-27-9-3-7-25-24(27)13-11-21(2)29(25)40-31-26(8-5-16-34-31)28-14-17-35-32(38-28)36-23-6-4-15-33-19-23/h3,5,7-9,11,13-14,16-17,20,22-23,33H,4,6,10,12,15,18-19H2,1-2H3,(H,37,39)(H,35,36,38)/t20?,22-,23-/m0/s1
• InChIKey: PPBCASUXGWZYPK-FALYVICWSA-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 (1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide?

The IUPAC name of (1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide (CID 135328289) is (1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide.

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

The canonical SMILES for (1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide is Cc1ccc2c(NC(=O)[C@H]3CCC(C)C3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.

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

The InChIKey is PPBCASUXGWZYPK-FALYVICWSA-N. The full InChI is InChI=1S/C32H36N6O2/c1-20-10-12-22(18-20)30(39)37-27-9-3-7-25-24(27)13-11-21(2)29(25)40-31-26(8-5-16-34-31)28-14-17-35-32(38-28)36-23-6-4-15-33-19-23/h3,5,7-9,11,13-14,16-17,20,22-23,33H,4,6,10,12,15,18-19H2,1-2H3,(H,37,39)(H,35,36,38)/t20?,22-,23-/m0/s1.

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

(1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]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 (1S)-3-methyl-N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 135328289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).