N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C23H23FN2O4 — CID 166221718

About N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 166221718) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 166221718
• Molecular Formula: C23H23FN2O4
• Molecular Weight: 410.45 g/mol
• Exact Mass: 410.16
• IUPAC Name: N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1[nH]c(=O)c(C(=O)NCC(CO)Cc2ccccc2F)cc1-c1ccc(O)cc1
• InChI: InChI=1S/C23H23FN2O4/c1-14-19(16-6-8-18(28)9-7-16)11-20(23(30)26-14)22(29)25-12-15(13-27)10-17-4-2-3-5-21(17)24/h2-9,11,15,27-28H,10,12-13H2,1H3,(H,25,29)(H,26,30)
• InChIKey: AYKOSAGUBYYMAA-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 102.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.45
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 166221718) is N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

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

The canonical SMILES for N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)NCC(CO)Cc2ccccc2F)cc1-c1ccc(O)cc1.

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

The InChIKey is AYKOSAGUBYYMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-14-19(16-6-8-18(28)9-7-16)11-20(23(30)26-14)22(29)25-12-15(13-27)10-17-4-2-3-5-21(17)24/h2-9,11,15,27-28H,10,12-13H2,1H3,(H,25,29)(H,26,30).

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

N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-(4-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166221718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).