2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide

C21H27N3O2 — CID 125166620

About 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide

2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 125166620) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide
• PubChem CID: 125166620
• Molecular Formula: C21H27N3O2
• Molecular Weight: 353.47 g/mol
• Exact Mass: 353.21
• IUPAC Name: 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide
• SMILES: CCc1cc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)cc(=O)[nH]1
• InChI: InChI=1S/C21H27N3O2/c1-3-18-12-17(13-20(25)23-18)21(26)22-9-11-24-10-8-16(14-24)19-7-5-4-6-15(19)2/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,22,26)(H,23,25)/t16-/m0/s1
• InChIKey: IFGUBJQBNUJMIH-INIZCTEOSA-N
• XLogP: 2.47
• TPSA: 65.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.47
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide?

The IUPAC name of 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide (CID 125166620) is 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide.

What is the SMILES notation for 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide?

The canonical SMILES for 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)cc(=O)[nH]1.

What is the InChIKey of 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide?

The InChIKey is IFGUBJQBNUJMIH-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-3-18-12-17(13-20(25)23-18)21(26)22-9-11-24-10-8-16(14-24)19-7-5-4-6-15(19)2/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,22,26)(H,23,25)/t16-/m0/s1.

What are the key properties of 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide?

2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 125166620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).