3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide

C22H29N3O2 — CID 126441730

About 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide

3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide (PubChem CID 126441730) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
• PubChem CID: 126441730
• Molecular Formula: C22H29N3O2
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.23
• IUPAC Name: 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide
• SMILES: Cc1ccccc1[C@H]1CCN(CCNC(=O)CCn2c(C)cccc2=O)C1
• InChI: InChI=1S/C22H29N3O2/c1-17-6-3-4-8-20(17)19-10-13-24(16-19)15-12-23-21(26)11-14-25-18(2)7-5-9-22(25)27/h3-9,19H,10-16H2,1-2H3,(H,23,26)/t19-/m0/s1
• InChIKey: WHRBIDXCFIBFLF-IBGZPJMESA-N
• XLogP: 2.46
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide?

The IUPAC name of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide (CID 126441730) is 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide.

What is the SMILES notation for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide?

The canonical SMILES for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide is Cc1ccccc1[C@H]1CCN(CCNC(=O)CCn2c(C)cccc2=O)C1.

What is the InChIKey of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide?

The InChIKey is WHRBIDXCFIBFLF-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-6-3-4-8-20(17)19-10-13-24(16-19)15-12-23-21(26)11-14-25-18(2)7-5-9-22(25)27/h3-9,19H,10-16H2,1-2H3,(H,23,26)/t19-/m0/s1.

What are the key properties of 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide?

3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide has a molecular weight of 367.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 126441730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).