(2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C18H21N3O4S — CID 110197069

IUPAC(2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1cccs1
InChIInChI=1S/C18H21N3O4S/c1-24-8-7-20-17(22)15-10-14(25-13-4-2-6-19-11-13)12-21(15)18(23)16-5-3-9-26-16/h2-6,9,11,14-15H,7-8,10,12H2,1H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyZPNXWWLBTXZGPP-LSDHHAIUSA-N
MW375.45 g/mol
LogP1.57
Rot. Bonds7

About (2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

(2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 110197069) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is (2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID110197069
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name(2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1cccs1
InChIInChI=1S/C18H21N3O4S/c1-24-8-7-20-17(22)15-10-14(25-13-4-2-6-19-11-13)12-21(15)18(23)16-5-3-9-26-16/h2-6,9,11,14-15H,7-8,10,12H2,1H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyZPNXWWLBTXZGPP-LSDHHAIUSA-N
XLogP1.57
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-1-(furan-2-carbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198841
(2R,4S)-2-N-(2-methoxyethyl)-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197066
(2S,4S)-1-(cyclohexanecarbonyl)-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110198800
(2R,4S)-2-N-(2-methoxyethyl)-1-N-phenyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197058
N-(2-methoxyethyl)-1-(5-methylpyrazine-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 171142100
1-[3-(1H-indol-3-yl)propanoyl]-N-(2-methoxyethyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 171142208
(2S,4S)-N-(2-methoxyethyl)-1-(2-methylpyrazole-3-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198401
(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propanoylpyrrolidine-2-carboxamide
CID 110196958
N-(2-methoxyethyl)-1-(1-methylpyrrole-2-carbonyl)-4-phenoxypyrrolidine-2-carboxamide
CID 171142108
(2S,4S)-1-N-ethyl-2-N-(2-methoxyethyl)-4-phenoxypyrrolidine-1,2-dicarboxamide
CID 110198415
(2R,4S)-2-N-methyl-1-N-propyl-4-pyridin-3-yloxypyrrolidine-1,2-dicarboxamide
CID 110197036
(2S,4S)-1-(2-cyclohexylacetyl)-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110198380

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 110197069) is (2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is COCCNC(=O)[C@H]1C[C@H](Oc2cccnc2)CN1C(=O)c1cccs1.
What is the InChIKey of (2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is ZPNXWWLBTXZGPP-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-24-8-7-20-17(22)15-10-14(25-13-4-2-6-19-11-13)12-21(15)18(23)16-5-3-9-26-16/h2-6,9,11,14-15H,7-8,10,12H2,1H3,(H,20,22)/t14-,15+/m0/s1.
What are the key properties of (2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
(2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-(2-methoxyethyl)-4-pyridin-3-yloxy-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110197069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).