N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide

C23H25N3O3 — CID 170512129

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide (PubChem CID 170512129) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
• PubChem CID: 170512129
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
• SMILES: Cc1cc(C)nc(CCNC(=O)c2c(C)cc(CCc3ccccc3)oc2=O)n1
• InChI: InChI=1S/C23H25N3O3/c1-15-13-19(10-9-18-7-5-4-6-8-18)29-23(28)21(15)22(27)24-12-11-20-25-16(2)14-17(3)26-20/h4-8,13-14H,9-12H2,1-3H3,(H,24,27)
• InChIKey: IVUSMZONRMIKAK-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 85.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?

The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide (CID 170512129) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide.

What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?

The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide is Cc1cc(C)nc(CCNC(=O)c2c(C)cc(CCc3ccccc3)oc2=O)n1.

What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?

The InChIKey is IVUSMZONRMIKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-13-19(10-9-18-7-5-4-6-8-18)29-23(28)21(15)22(27)24-12-11-20-25-16(2)14-17(3)26-20/h4-8,13-14H,9-12H2,1-3H3,(H,24,27).

What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide is sourced from PubChem (CID 170512129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).