(2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

C17H25N3O3 — CID 125236994

IUPAC(2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOCCO[C@@H]1CCN(C(=O)NC2CC2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C17H25N3O3/c1-22-9-10-23-16-6-8-20(17(21)19-14-4-5-14)15(16)11-13-3-2-7-18-12-13/h2-3,7,12,14-16H,4-6,8-11H2,1H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyTZZQYRZPHBJGCH-HZPDHXFCSA-N
MW319.40 g/mol
LogP1.60
Rot. Bonds7

About (2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide

(2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 125236994) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID125236994
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOCCO[C@@H]1CCN(C(=O)NC2CC2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C17H25N3O3/c1-22-9-10-23-16-6-8-20(17(21)19-14-4-5-14)15(16)11-13-3-2-7-18-12-13/h2-3,7,12,14-16H,4-6,8-11H2,1H3,(H,19,21)/t15-,16-/m1/s1
InChIKeyTZZQYRZPHBJGCH-HZPDHXFCSA-N
XLogP1.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-N-cyclopropyl-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97470631
(2S,3S)-N-cyclopropyl-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97392012
3-[[(2S,3S)-1-cyclopropylsulfonyl-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]pyridine
CID 97470594
3-[[(2R,3R)-1-cyclopropylsulfonyl-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]pyridine
CID 124797335
N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 97470570
4-methoxy-6-[(2R,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124795341
3-[[(2S,3S)-3-(2-methoxyethoxy)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridine
CID 97470591
(2S,3S)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97470675
[(2R,3R)-3-(cyclopropylmethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 124793722
4-[[(2S,3R)-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97470218
2-(3-fluorophenyl)-1-[(2S,3R)-3-methoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 97391881
3-[[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]pyridine;2,2,2-trifluoroacetic acid
CID 171695847

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide (CID 125236994) is (2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is COCCO[C@@H]1CCN(C(=O)NC2CC2)[C@@H]1Cc1cccnc1.
What is the InChIKey of (2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is TZZQYRZPHBJGCH-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-22-9-10-23-16-6-8-20(17(21)19-14-4-5-14)15(16)11-13-3-2-7-18-12-13/h2-3,7,12,14-16H,4-6,8-11H2,1H3,(H,19,21)/t15-,16-/m1/s1.
What are the key properties of (2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide?
(2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-cyclopropyl-3-(2-methoxyethoxy)-2-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 125236994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).