N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

C22H28N4O3 — CID 97269848

About N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide

N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 97269848) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 97269848
• Molecular Formula: C22H28N4O3
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.22
• IUPAC Name: N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1
• InChI: InChI=1S/C22H28N4O3/c1-25(15-11-18-7-2-3-12-23-18)20(27)10-9-17-6-5-14-26(16-17)22(29)19-8-4-13-24-21(19)28/h2-4,7-8,12-13,17H,5-6,9-11,14-16H2,1H3,(H,24,28)/t17-/m0/s1
• InChIKey: DCKKMRKJKCZEKS-KRWDZBQOSA-N
• XLogP: 2.10
• TPSA: 86.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?

The IUPAC name of N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide (CID 97269848) is N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide.

What is the SMILES notation for N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?

The canonical SMILES for N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)CC[C@@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1.

What is the InChIKey of N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?

The InChIKey is DCKKMRKJKCZEKS-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-25(15-11-18-7-2-3-12-23-18)20(27)10-9-17-6-5-14-26(16-17)22(29)19-8-4-13-24-21(19)28/h2-4,7-8,12-13,17H,5-6,9-11,14-16H2,1H3,(H,24,28)/t17-/m0/s1.

What are the key properties of N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide?

N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 97269848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).