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

C29H33ClN6O2 — CID 135326929

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

2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propanamide;hydrochloride (PubChem CID 135326929) has the molecular formula C29H33ClN6O2 and a molecular weight of 533.08 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]propanamide;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]propanamide;hydrochloride
• PubChem CID: 135326929
• Molecular Formula: C29H33ClN6O2
• Molecular Weight: 533.08 g/mol
• Exact Mass: 532.24
• IUPAC Name: 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propanamide;hydrochloride
• SMILES: Cc1ccc2c(NC(=O)C(C)C)cccc2c1Oc1ncccc1-c1ccnc(NC2CCCNC2)n1.Cl
• InChI: InChI=1S/C29H32N6O2.ClH/c1-18(2)27(36)34-24-10-4-8-22-21(24)12-11-19(3)26(22)37-28-23(9-6-15-31-28)25-13-16-32-29(35-25)33-20-7-5-14-30-17-20;/h4,6,8-13,15-16,18,20,30H,5,7,14,17H2,1-3H3,(H,34,36)(H,32,33,35);1H
• InChIKey: MVSNCEMLPMASBM-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 101.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.08
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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]propanamide;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]propanamide;hydrochloride (CID 135326929) is 2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propanamide;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]propanamide;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]propanamide;hydrochloride is Cc1ccc2c(NC(=O)C(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]propanamide;hydrochloride?

The InChIKey is MVSNCEMLPMASBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2.ClH/c1-18(2)27(36)34-24-10-4-8-22-21(24)12-11-19(3)26(22)37-28-23(9-6-15-31-28)25-13-16-32-29(35-25)33-20-7-5-14-30-17-20;/h4,6,8-13,15-16,18,20,30H,5,7,14,17H2,1-3H3,(H,34,36)(H,32,33,35);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]propanamide;hydrochloride?

2-methyl-N-[6-methyl-5-[[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]propanamide;hydrochloride has a molecular weight of 533.08 g/mol, XLogP of 5.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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]propanamide;hydrochloride is sourced from PubChem (CID 135326929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).