2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide

C26H38N6O — CID 70571684

About 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide

2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide (PubChem CID 70571684) has the molecular formula C26H38N6O and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
• PubChem CID: 70571684
• Molecular Formula: C26H38N6O
• Molecular Weight: 450.63 g/mol
• Exact Mass: 450.31
• IUPAC Name: 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide
• SMILES: CN(Cc1cccc(-c2cnc(N3CCC(CCN4CCCCC4)CC3)nc2)c1)C(=O)CN
• InChI: InChI=1S/C26H38N6O/c1-30(25(33)17-27)20-22-6-5-7-23(16-22)24-18-28-26(29-19-24)32-14-9-21(10-15-32)8-13-31-11-3-2-4-12-31/h5-7,16,18-19,21H,2-4,8-15,17,20,27H2,1H3
• InChIKey: SVHYOEBAYVCYCI-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 78.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.63
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide?

The IUPAC name of 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide (CID 70571684) is 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide.

What is the SMILES notation for 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide?

The canonical SMILES for 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide is CN(Cc1cccc(-c2cnc(N3CCC(CCN4CCCCC4)CC3)nc2)c1)C(=O)CN.

What is the InChIKey of 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide?

The InChIKey is SVHYOEBAYVCYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O/c1-30(25(33)17-27)20-22-6-5-7-23(16-22)24-18-28-26(29-19-24)32-14-9-21(10-15-32)8-13-31-11-3-2-4-12-31/h5-7,16,18-19,21H,2-4,8-15,17,20,27H2,1H3.

What are the key properties of 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide?

2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide has a molecular weight of 450.63 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-methyl-N-[[3-[2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyrimidin-5-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 70571684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).