N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C20H24FN3O2 — CID 95148410

About N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 95148410) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 95148410
• Molecular Formula: C20H24FN3O2
• Molecular Weight: 357.43 g/mol
• Exact Mass: 357.19
• IUPAC Name: N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(C(=O)NC[C@H](c2ccccc2F)N2CCCC2)c(=O)[nH]1
• InChI: InChI=1S/C20H24FN3O2/c1-13-11-14(2)23-20(26)18(13)19(25)22-12-17(24-9-5-6-10-24)15-7-3-4-8-16(15)21/h3-4,7-8,11,17H,5-6,9-10,12H2,1-2H3,(H,22,25)(H,23,26)/t17-/m1/s1
• InChIKey: SHYZPIMCNKGBDU-QGZVFWFLSA-N
• XLogP: 2.70
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.43
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 95148410) is N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NC[C@H](c2ccccc2F)N2CCCC2)c(=O)[nH]1.

What is the InChIKey of N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is SHYZPIMCNKGBDU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-13-11-14(2)23-20(26)18(13)19(25)22-12-17(24-9-5-6-10-24)15-7-3-4-8-16(15)21/h3-4,7-8,11,17H,5-6,9-10,12H2,1-2H3,(H,22,25)(H,23,26)/t17-/m1/s1.

What are the key properties of N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?

N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 95148410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).