5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine

C21H32N2O — CID 135322933

IUPAC5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
SMILESCCOC[C@]1(CCC2CC2)CCN(C2(c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C21H32N2O/c1-3-24-16-20(9-8-18-5-6-18)12-13-23(15-20)21(10-11-21)19-7-4-17(2)22-14-19/h4,7,14,18H,3,5-6,8-13,15-16H2,1-2H3/t20-/m1/s1
InChIKeyGIONDIZRQFDKIM-HXUWFJFHSA-N
MW328.50 g/mol
LogP4.30
Rot. Bonds8

About 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine

5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine (PubChem CID 135322933) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
PubChem CID135322933
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
SMILESCCOC[C@]1(CCC2CC2)CCN(C2(c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C21H32N2O/c1-3-24-16-20(9-8-18-5-6-18)12-13-23(15-20)21(10-11-21)19-7-4-17(2)22-14-19/h4,7,14,18H,3,5-6,8-13,15-16H2,1-2H3/t20-/m1/s1
InChIKeyGIONDIZRQFDKIM-HXUWFJFHSA-N
XLogP4.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine with MolForge

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Related Compounds

5-[1-[(3S)-3-(ethoxymethyl)-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135330031
5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135323289
5-[1-[(3R)-3-(ethoxymethyl)-3-[2-(5-fluorothiophen-2-yl)ethyl]pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 135322778
3-[2-[(3S)-3-(ethoxymethyl)-1-[1-(6-methyl-3-pyridinyl)cyclopropyl]pyrrolidin-3-yl]ethyl]-1H-imidazol-2-one
CID 140909083
5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 135322558
2-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 166506707
5-[2-[3-[2-(4-chlorothiophen-3-yl)ethyl]-3-(ethoxymethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
CID 162430520
5-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-1H-pyridin-2-one
CID 166506556
5-[1-[(3S)-3-[(1R)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 166506678
5-[1-[(3S)-3-[(1S)-1-ethoxyethyl]-3-(2-thiophen-2-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
CID 166506578
1-[2-[(3S)-3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-3-methylurea
CID 166506621
1-[2-[3-(ethoxymethyl)-1-[2-(6-methyl-3-pyridinyl)propan-2-yl]pyrrolidin-3-yl]ethyl]-5,6-difluoro-3-(2-methylpropyl)benzimidazol-2-one
CID 162430367

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The IUPAC name of 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine (CID 135322933) is 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine.
What is the SMILES notation for 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The canonical SMILES for 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine is CCOC[C@]1(CCC2CC2)CCN(C2(c3ccc(C)nc3)CC2)C1.
What is the InChIKey of 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The InChIKey is GIONDIZRQFDKIM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H32N2O/c1-3-24-16-20(9-8-18-5-6-18)12-13-23(15-20)21(10-11-21)19-7-4-17(2)22-14-19/h4,7,14,18H,3,5-6,8-13,15-16H2,1-2H3/t20-/m1/s1.
What are the key properties of 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine has a molecular weight of 328.50 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3R)-3-(2-cyclopropylethyl)-3-(ethoxymethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine is sourced from PubChem (CID 135322933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).