N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide

C20H31N3O2 — CID 129337601

IUPACN-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
SMILESC[C@H]1CC[C@H](CCC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)O1
InChIInChI=1S/C20H31N3O2/c1-15-6-7-18(25-15)8-9-19(24)23(3)14-17-10-12-22(2)20(17)16-5-4-11-21-13-16/h4-5,11,13,15,17-18,20H,6-10,12,14H2,1-3H3/t15-,17-,18+,20-/m0/s1
InChIKeySLYSYZUUCGXKDD-BOLBYERCSA-N
MW345.49 g/mol
LogP2.88
Rot. Bonds6

About N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide

N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide (PubChem CID 129337601) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
PubChem CID129337601
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
SMILESC[C@H]1CC[C@H](CCC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)O1
InChIInChI=1S/C20H31N3O2/c1-15-6-7-18(25-15)8-9-19(24)23(3)14-17-10-12-22(2)20(17)16-5-4-11-21-13-16/h4-5,11,13,15,17-18,20H,6-10,12,14H2,1-3H3/t15-,17-,18+,20-/m0/s1
InChIKeySLYSYZUUCGXKDD-BOLBYERCSA-N
XLogP2.88
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide (CID 129337601) is N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide is C[C@H]1CC[C@H](CCC(=O)N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)O1.
What is the InChIKey of N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide?
The InChIKey is SLYSYZUUCGXKDD-BOLBYERCSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15-6-7-18(25-15)8-9-19(24)23(3)14-17-10-12-22(2)20(17)16-5-4-11-21-13-16/h4-5,11,13,15,17-18,20H,6-10,12,14H2,1-3H3/t15-,17-,18+,20-/m0/s1.
What are the key properties of N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide?
N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 129337601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).