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

C29H35ClN6O3S — CID 135328195

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

2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide;hydrochloride (PubChem CID 135328195) has the molecular formula C29H35ClN6O3S and a molecular weight of 583.16 g/mol. Its IUPAC name is 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide;hydrochloride.

Molecular Properties

• Compound Name: 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide;hydrochloride
• PubChem CID: 135328195
• Molecular Formula: C29H35ClN6O3S
• Molecular Weight: 583.16 g/mol
• Exact Mass: 582.22
• IUPAC Name: 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide;hydrochloride
• SMILES: Cc1ccc2c(NS(=O)(=O)CC(C)C)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1.Cl
• InChI: InChI=1S/C29H34N6O3S.ClH/c1-19(2)18-39(36,37)35-26-10-4-8-23-22(26)12-11-20(3)27(23)38-28-24(9-6-15-31-28)25-13-16-32-29(34-25)33-21-7-5-14-30-17-21;/h4,6,8-13,15-16,19,21,30,35H,5,7,14,17-18H2,1-3H3,(H,32,33,34);1H
• InChIKey: CTAHUZUXCVHZHP-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 118.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.16
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide;hydrochloride (CID 135328195) is 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide;hydrochloride.

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

The canonical SMILES for 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide;hydrochloride is Cc1ccc2c(NS(=O)(=O)CC(C)C)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1.Cl.

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

The InChIKey is CTAHUZUXCVHZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O3S.ClH/c1-19(2)18-39(36,37)35-26-10-4-8-23-22(26)12-11-20(3)27(23)38-28-24(9-6-15-31-28)25-13-16-32-29(34-25)33-21-7-5-14-30-17-21;/h4,6,8-13,15-16,19,21,30,35H,5,7,14,17-18H2,1-3H3,(H,32,33,34);1H.

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

2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide;hydrochloride has a molecular weight of 583.16 g/mol, XLogP of 5.78, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 135328195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).