N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

C17H23N5O2 — CID 135088813

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (PubChem CID 135088813) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
• PubChem CID: 135088813
• Molecular Formula: C17H23N5O2
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.19
• IUPAC Name: N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
• SMILES: Cc1cc(C)n(CCNC(=O)CN(C)Cc2cccnc2)c(=O)n1
• InChI: InChI=1S/C17H23N5O2/c1-13-9-14(2)22(17(24)20-13)8-7-19-16(23)12-21(3)11-15-5-4-6-18-10-15/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,19,23)
• InChIKey: ZSTWUIVASSTNCL-UHFFFAOYSA-N
• XLogP: 0.50
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?

The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide (CID 135088813) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide.

What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?

The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is Cc1cc(C)n(CCNC(=O)CN(C)Cc2cccnc2)c(=O)n1.

What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?

The InChIKey is ZSTWUIVASSTNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-9-14(2)22(17(24)20-13)8-7-19-16(23)12-21(3)11-15-5-4-6-18-10-15/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,19,23).

What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide?

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide has a molecular weight of 329.40 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 135088813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).