N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide

C23H32N4O2S — CID 131954043

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide (PubChem CID 131954043) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide
• PubChem CID: 131954043
• Molecular Formula: C23H32N4O2S
• Molecular Weight: 428.60 g/mol
• Exact Mass: 428.22
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide
• SMILES: CC1=CC(C)=NC(=O)C1CNC(=O)c1csc(N2CCCC2C2CCNCC2)c1C
• InChI: InChI=1S/C23H32N4O2S/c1-14-11-15(2)26-22(29)18(14)12-25-21(28)19-13-30-23(16(19)3)27-10-4-5-20(27)17-6-8-24-9-7-17/h11,13,17-18,20,24H,4-10,12H2,1-3H3,(H,25,28)
• InChIKey: HJOPTESPSWQKBZ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 73.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.60
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide (CID 131954043) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1csc(N2CCCC2C2CCNCC2)c1C.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide?

The InChIKey is HJOPTESPSWQKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-14-11-15(2)26-22(29)18(14)12-25-21(28)19-13-30-23(16(19)3)27-10-4-5-20(27)17-6-8-24-9-7-17/h11,13,17-18,20,24H,4-10,12H2,1-3H3,(H,25,28).

What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide?

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methyl-5-(2-piperidin-4-ylpyrrolidin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 131954043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).