(2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide

C20H31N3O2 — CID 129341244

About (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide

(2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide (PubChem CID 129341244) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide
• PubChem CID: 129341244
• Molecular Formula: C20H31N3O2
• Molecular Weight: 345.49 g/mol
• Exact Mass: 345.24
• IUPAC Name: (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide
• SMILES: CC[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCO1
• InChI: InChI=1S/C20H31N3O2/c1-4-18-12-15(8-11-25-18)20(24)23(3)14-17-7-10-22(2)19(17)16-6-5-9-21-13-16/h5-6,9,13,15,17-19H,4,7-8,10-12,14H2,1-3H3/t15-,17+,18-,19+/m1/s1
• InChIKey: YNUYQLRVYFMWKU-LULLPPNCSA-N
• XLogP: 2.74
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.49
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide?

The IUPAC name of (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide (CID 129341244) is (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide.

What is the SMILES notation for (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide?

The canonical SMILES for (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide is CC[C@@H]1C[C@H](C(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CCO1.

What is the InChIKey of (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide?

The InChIKey is YNUYQLRVYFMWKU-LULLPPNCSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-18-12-15(8-11-25-18)20(24)23(3)14-17-7-10-22(2)19(17)16-6-5-9-21-13-16/h5-6,9,13,15,17-19H,4,7-8,10-12,14H2,1-3H3/t15-,17+,18-,19+/m1/s1.

What are the key properties of (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide?

(2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 129341244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).