5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine

C21H30N4O — CID 135323289

IUPAC5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
SMILESCCOCC1(CCn2ccnc2)CCN(C2(c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C21H30N4O/c1-3-26-16-20(8-11-24-13-10-22-17-24)9-12-25(15-20)21(6-7-21)19-5-4-18(2)23-14-19/h4-5,10,13-14,17H,3,6-9,11-12,15-16H2,1-2H3
InChIKeyDTGSPSCZMSTCOD-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.39
Rot. Bonds8

About 5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine

5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine (PubChem CID 135323289) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
PubChem CID135323289
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine
SMILESCCOCC1(CCn2ccnc2)CCN(C2(c3ccc(C)nc3)CC2)C1
InChIInChI=1S/C21H30N4O/c1-3-26-16-20(8-11-24-13-10-22-17-24)9-12-25(15-20)21(6-7-21)19-5-4-18(2)23-14-19/h4-5,10,13-14,17H,3,6-9,11-12,15-16H2,1-2H3
InChIKeyDTGSPSCZMSTCOD-UHFFFAOYSA-N
XLogP3.39
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The IUPAC name of 5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine (CID 135323289) is 5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine.
What is the SMILES notation for 5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The canonical SMILES for 5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine is CCOCC1(CCn2ccnc2)CCN(C2(c3ccc(C)nc3)CC2)C1.
What is the InChIKey of 5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
The InChIKey is DTGSPSCZMSTCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-26-16-20(8-11-24-13-10-22-17-24)9-12-25(15-20)21(6-7-21)19-5-4-18(2)23-14-19/h4-5,10,13-14,17H,3,6-9,11-12,15-16H2,1-2H3.
What are the key properties of 5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine?
5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine has a molecular weight of 354.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(ethoxymethyl)-3-(2-imidazol-1-ylethyl)pyrrolidin-1-yl]cyclopropyl]-2-methylpyridine is sourced from PubChem (CID 135323289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).