3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide

C27H33N3O6 — CID 42483288

About 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide

3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 42483288) has the molecular formula C27H33N3O6 and a molecular weight of 495.58 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
• PubChem CID: 42483288
• Molecular Formula: C27H33N3O6
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.24
• IUPAC Name: 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
• SMILES: COCCN(C(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCc2ccc(C)o2)c1=O)C(C)C
• InChI: InChI=1S/C27H33N3O6/c1-18(2)30(12-13-34-4)27(33)23-17-29(15-20-8-6-7-9-24(20)35-5)16-22(25(23)31)26(32)28-14-21-11-10-19(3)36-21/h6-11,16-18H,12-15H2,1-5H3,(H,28,32)
• InChIKey: CXKCKPYGIUZKTP-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 103.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?

The IUPAC name of 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 42483288) is 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide.

What is the SMILES notation for 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?

The canonical SMILES for 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide is COCCN(C(=O)c1cn(Cc2ccccc2OC)cc(C(=O)NCc2ccc(C)o2)c1=O)C(C)C.

What is the InChIKey of 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?

The InChIKey is CXKCKPYGIUZKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O6/c1-18(2)30(12-13-34-4)27(33)23-17-29(15-20-8-6-7-9-24(20)35-5)16-22(25(23)31)26(32)28-14-21-11-10-19(3)36-21/h6-11,16-18H,12-15H2,1-5H3,(H,28,32).

What are the key properties of 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?

3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.23, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 42483288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).