5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C21H27N3O4 — CID 75424513

About 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 75424513) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 75424513
• Molecular Formula: C21H27N3O4
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.20
• IUPAC Name: 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
• SMILES: COCCN1CCCC1CNC(=O)c1cc(-c2ccc(O)cc2)c(C)[nH]c1=O
• InChI: InChI=1S/C21H27N3O4/c1-14-18(15-5-7-17(25)8-6-15)12-19(21(27)23-14)20(26)22-13-16-4-3-9-24(16)10-11-28-2/h5-8,12,16,25H,3-4,9-11,13H2,1-2H3,(H,22,26)(H,23,27)
• InChIKey: YCCZGXKCXVIIOU-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 94.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 75424513) is 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is COCCN1CCCC1CNC(=O)c1cc(-c2ccc(O)cc2)c(C)[nH]c1=O.

What is the InChIKey of 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is YCCZGXKCXVIIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-18(15-5-7-17(25)8-6-15)12-19(21(27)23-14)20(26)22-13-16-4-3-9-24(16)10-11-28-2/h5-8,12,16,25H,3-4,9-11,13H2,1-2H3,(H,22,26)(H,23,27).

What are the key properties of 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?

5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-hydroxyphenyl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75424513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).