(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C17H25N3O4 — CID 110198842

IUPAC(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C(C)C
InChIInChI=1S/C17H25N3O4/c1-12(2)17(22)20-11-14(24-13-5-4-6-18-10-13)9-15(20)16(21)19-7-8-23-3/h4-6,10,12,14-15H,7-9,11H2,1-3H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyILDXIINYPUPUHK-GJZGRUSLSA-N
MW335.40 g/mol
LogP0.85
Rot. Bonds7

About (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198842) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198842
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C(C)C
InChIInChI=1S/C17H25N3O4/c1-12(2)17(22)20-11-14(24-13-5-4-6-18-10-13)9-15(20)16(21)19-7-8-23-3/h4-6,10,12,14-15H,7-9,11H2,1-3H3,(H,19,21)/t14-,15-/m0/s1
InChIKeyILDXIINYPUPUHK-GJZGRUSLSA-N
XLogP0.85
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.85
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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Related Compounds

3-(Pyrrolidin-3-yloxy)pyridine
CID 10154205
3-((3S)-3-Pyrrolidinyloxy)pyridine
CID 12112233
(3R)-3-(pyridin-3-yloxy)pyrrolidine
CID 16102636
1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(pyridin-2-yloxy)pyrrolidin-1-yl)ethanone
CID 44598903
1-((2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(pyridin-3-yloxy)pyrrolidin-1-yl)ethanone
CID 44598904
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridin-2-yloxy)pyrrolidin-2-yl)methanone
CID 46888328
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridin-3-yloxy)pyrrolidin-2-yl)methanone
CID 46888329
2-(1-benzyl-3-oxo-2-piperazinyl)-N-[3-(3-pyridinyloxy)propyl]acetamide
CID 24790546
trans-(S)-N-(1-(4-(6-isopropoxypyridin-3-yloxy)phenoxy)propan-2-yl)acetamide
CID 49855404
[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 71724974
2-Phenoxy-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
CID 66797340
(2S)-N-[(2S)-1-[[(2S,3S)-3-amino-5-[[(2S)-3-methyl-1-pyridin-3-yloxybutan-2-yl]amino]-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methyl-2-(3-methylbutanoylamino)pentanamide
CID 60163161

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198842) is (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is COCCNC(=O)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)C(C)C.
What is the InChIKey of (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is ILDXIINYPUPUHK-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12(2)17(22)20-11-14(24-13-5-4-6-18-10-13)9-15(20)16(21)19-7-8-23-3/h4-6,10,12,14-15H,7-9,11H2,1-3H3,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(2-methoxyethyl)-1-(2-methylpropanoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).