2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

C23H31N5O2 — CID 110263384

About 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide

2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 110263384) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
• PubChem CID: 110263384
• Molecular Formula: C23H31N5O2
• Molecular Weight: 409.53 g/mol
• Exact Mass: 409.25
• IUPAC Name: 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(NC(=O)CN2CCCC(c3nc(C)c4c(n3)N(C)CCC4)C2)cc1
• InChI: InChI=1S/C23H31N5O2/c1-16-20-7-5-12-27(2)23(20)26-22(24-16)17-6-4-13-28(14-17)15-21(29)25-18-8-10-19(30-3)11-9-18/h8-11,17H,4-7,12-15H2,1-3H3,(H,25,29)
• InChIKey: XORLRLGYYMHLEA-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.53
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?

The IUPAC name of 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide (CID 110263384) is 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide.

What is the SMILES notation for 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?

The canonical SMILES for 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN2CCCC(c3nc(C)c4c(n3)N(C)CCC4)C2)cc1.

What is the InChIKey of 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?

The InChIKey is XORLRLGYYMHLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-16-20-7-5-12-27(2)23(20)26-22(24-16)17-6-4-13-28(14-17)15-21(29)25-18-8-10-19(30-3)11-9-18/h8-11,17H,4-7,12-15H2,1-3H3,(H,25,29).

What are the key properties of 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide?

2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 110263384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).