N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

C18H22N4O2 — CID 128971727

About N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide

N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 128971727) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 128971727
• Molecular Formula: C18H22N4O2
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.17
• IUPAC Name: N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
• SMILES: CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(=O)[nH]c1
• InChI: InChI=1S/C18H22N4O2/c1-21-9-7-15(17(21)13-4-3-8-19-10-13)12-22(2)18(24)14-5-6-16(23)20-11-14/h3-6,8,10-11,15,17H,7,9,12H2,1-2H3,(H,20,23)/t15-,17-/m0/s1
• InChIKey: OWKXVLONTKEVEU-RDJZCZTQSA-N
• XLogP: 1.53
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.40
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 128971727) is N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)c1ccc(=O)[nH]c1.

What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?

The InChIKey is OWKXVLONTKEVEU-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-9-7-15(17(21)13-4-3-8-19-10-13)12-22(2)18(24)14-5-6-16(23)20-11-14/h3-6,8,10-11,15,17H,7,9,12H2,1-2H3,(H,20,23)/t15-,17-/m0/s1.

What are the key properties of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide?

N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 128971727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).