[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

C17H21N3O2 — CID 97470567

IUPAC[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCCO[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C17H21N3O2/c1-2-22-16-7-10-20(17(21)14-6-4-9-19-14)15(16)11-13-5-3-8-18-12-13/h3-6,8-9,12,15-16,19H,2,7,10-11H2,1H3/t15-,16-/m1/s1
InChIKeyWSEVOYVISLFQCG-HZPDHXFCSA-N
MW299.37 g/mol
LogP2.27
Rot. Bonds5

About [(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone

[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97470567) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97470567
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCCO[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C17H21N3O2/c1-2-22-16-7-10-20(17(21)14-6-4-9-19-14)15(16)11-13-5-3-8-18-12-13/h3-6,8-9,12,15-16,19H,2,7,10-11H2,1H3/t15-,16-/m1/s1
InChIKeyWSEVOYVISLFQCG-HZPDHXFCSA-N
XLogP2.27
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 97470567) is [(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is CCO[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@@H]1Cc1cccnc1.
What is the InChIKey of [(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is WSEVOYVISLFQCG-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-22-16-7-10-20(17(21)14-6-4-9-19-14)15(16)11-13-5-3-8-18-12-13/h3-6,8-9,12,15-16,19H,2,7,10-11H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97470567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).