3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

C22H26N4O2 — CID 55621619

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 55621619) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
• PubChem CID: 55621619
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
• SMILES: Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CCN(c2ccccc2)C1
• InChI: InChI=1S/C22H26N4O2/c1-15-19(16(2)25-22(28)20(15)12-23)8-9-21(27)24-13-17-10-11-26(14-17)18-6-4-3-5-7-18/h3-7,17H,8-11,13-14H2,1-2H3,(H,24,27)(H,25,28)
• InChIKey: LUJMDDJSBPGOSD-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 88.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?

The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (CID 55621619) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.

What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?

The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1CCN(c2ccccc2)C1.

What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?

The InChIKey is LUJMDDJSBPGOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-19(16(2)25-22(28)20(15)12-23)8-9-21(27)24-13-17-10-11-26(14-17)18-6-4-3-5-7-18/h3-7,17H,8-11,13-14H2,1-2H3,(H,24,27)(H,25,28).

What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 378.48 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 55621619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).