1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide

C20H21FN2O4 — CID 160864005

About 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide

1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide (PubChem CID 160864005) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 160864005
• Molecular Formula: C20H21FN2O4
• Molecular Weight: 372.40 g/mol
• Exact Mass: 372.15
• IUPAC Name: 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide
• SMILES: CNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2CO)cn(Cc2cccc(F)c2)c1=O
• InChI: InChI=1S/C20H21FN2O4/c1-22-19(26)17-7-14(18(25)8-13-6-15(13)11-24)10-23(20(17)27)9-12-3-2-4-16(21)5-12/h2-5,7,10,13,15,24H,6,8-9,11H2,1H3,(H,22,26)/t13-,15-/m1/s1
• InChIKey: SKWBNZNCOJYPLV-UKRRQHHQSA-N
• XLogP: 1.60
• TPSA: 88.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.40
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide (CID 160864005) is 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide is CNC(=O)c1cc(C(=O)C[C@H]2C[C@@H]2CO)cn(Cc2cccc(F)c2)c1=O.

What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is SKWBNZNCOJYPLV-UKRRQHHQSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-22-19(26)17-7-14(18(25)8-13-6-15(13)11-24)10-23(20(17)27)9-12-3-2-4-16(21)5-12/h2-5,7,10,13,15,24H,6,8-9,11H2,1H3,(H,22,26)/t13-,15-/m1/s1.

What are the key properties of 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide?

1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-fluorophenyl)methyl]-5-[2-[(1R,2S)-2-(hydroxymethyl)cyclopropyl]acetyl]-N-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 160864005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).