[5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone

C18H19ClN2O3 — CID 136586890

IUPAC[5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone
SMILESCCO[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1
InChIInChI=1S/C18H19ClN2O3/c1-2-23-16-8-9-21(12-16)18(22)17-7-6-15(11-20-17)24-14-5-3-4-13(19)10-14/h3-7,10-11,16H,2,8-9,12H2,1H3/t16-/m0/s1
InChIKeyRJOXKBLCJNRECF-INIZCTEOSA-N
MW346.81 g/mol
LogP3.78
Rot. Bonds5

About [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone

[5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone (PubChem CID 136586890) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone
PubChem CID136586890
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name[5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone
SMILESCCO[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1
InChIInChI=1S/C18H19ClN2O3/c1-2-23-16-8-9-21(12-16)18(22)17-7-6-15(11-20-17)24-14-5-3-4-13(19)10-14/h3-7,10-11,16H,2,8-9,12H2,1H3/t16-/m0/s1
InChIKeyRJOXKBLCJNRECF-INIZCTEOSA-N
XLogP3.78
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
(3-phenoxypiperidin-1-yl)-(5-phenoxy-2-pyridinyl)methanone
CID 166232036
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
[1-(3-chlorophenyl)pyrazol-4-yl]-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 95582875
6-(3-ethoxypiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748489
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[4-(3-chlorophenoxy)phenyl]methanone
CID 124612110
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-ethoxypiperidin-1-yl)methanone
CID 62954015
(5-chloro-2-pyridinyl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133132576
2-[3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120977338
5-(3-chlorophenoxy)-N-(1-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 166397540
[3-(3-chlorophenoxy)pyrrolidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 75391812
methyl 5-[[(3R)-3-(3-chlorophenoxy)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 166270839

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone?
The IUPAC name of [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone (CID 136586890) is [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone is CCO[C@H]1CCN(C(=O)c2ccc(Oc3cccc(Cl)c3)cn2)C1.
What is the InChIKey of [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone?
The InChIKey is RJOXKBLCJNRECF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-23-16-8-9-21(12-16)18(22)17-7-6-15(11-20-17)24-14-5-3-4-13(19)10-14/h3-7,10-11,16H,2,8-9,12H2,1H3/t16-/m0/s1.
What are the key properties of [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone?
[5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone has a molecular weight of 346.81 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenoxy)-2-pyridinyl]-[(3S)-3-ethoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 136586890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).