(3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

C22H26N4O3 — CID 124852502

IUPAC(3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCCOc1cccc2[nH]cc(CCNC(=O)N3CC[C@@H](Oc4cccnc4)C3)c12
InChIInChI=1S/C22H26N4O3/c1-2-28-20-7-3-6-19-21(20)16(13-25-19)8-11-24-22(27)26-12-9-18(15-26)29-17-5-4-10-23-14-17/h3-7,10,13-14,18,25H,2,8-9,11-12,15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyUXYRZSIXHADYEP-GOSISDBHSA-N
MW394.48 g/mol
LogP3.37
Rot. Bonds7

About (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

(3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 124852502) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID124852502
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name(3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCCOc1cccc2[nH]cc(CCNC(=O)N3CC[C@@H](Oc4cccnc4)C3)c12
InChIInChI=1S/C22H26N4O3/c1-2-28-20-7-3-6-19-21(20)16(13-25-19)8-11-24-22(27)26-12-9-18(15-26)29-17-5-4-10-23-14-17/h3-7,10,13-14,18,25H,2,8-9,11-12,15H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyUXYRZSIXHADYEP-GOSISDBHSA-N
XLogP3.37
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide with MolForge

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Related Compounds

(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97059507
3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 84597590
2-(4-ethoxy-1H-indol-3-yl)-1-[(3S)-3-ethoxypyrrolidin-1-yl]ethanone
CID 136586906
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 119043695
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227591
1-[2-(2-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000455
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 124852502) is (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is CCOc1cccc2[nH]cc(CCNC(=O)N3CC[C@@H](Oc4cccnc4)C3)c12.
What is the InChIKey of (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is UXYRZSIXHADYEP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-28-20-7-3-6-19-21(20)16(13-25-19)8-11-24-22(27)26-12-9-18(15-26)29-17-5-4-10-23-14-17/h3-7,10,13-14,18,25H,2,8-9,11-12,15H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
(3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-ethoxy-1H-indol-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 124852502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).