(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C20H25N3O3 — CID 110196977

IUPAC(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1Cc1ccncc1
InChIInChI=1S/C20H25N3O3/c1-25-12-11-22-20(24)19-13-18(26-17-5-3-2-4-6-17)15-23(19)14-16-7-9-21-10-8-16/h2-10,18-19H,11-15H2,1H3,(H,22,24)/t18-,19+/m0/s1
InChIKeyWIDDWBYQOSLYCX-RBUKOAKNSA-N
MW355.44 g/mol
LogP1.87
Rot. Bonds8

About (2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 110196977) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID110196977
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1Cc1ccncc1
InChIInChI=1S/C20H25N3O3/c1-25-12-11-22-20(24)19-13-18(26-17-5-3-2-4-6-17)15-23(19)14-16-7-9-21-10-8-16/h2-10,18-19H,11-15H2,1H3,(H,22,24)/t18-,19+/m0/s1
InChIKeyWIDDWBYQOSLYCX-RBUKOAKNSA-N
XLogP1.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 110196977) is (2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is COCCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1Cc1ccncc1.
What is the InChIKey of (2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is WIDDWBYQOSLYCX-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-12-11-22-20(24)19-13-18(26-17-5-3-2-4-6-17)15-23(19)14-16-7-9-21-10-8-16/h2-10,18-19H,11-15H2,1H3,(H,22,24)/t18-,19+/m0/s1.
What are the key properties of (2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110196977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).