5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine

C19H24N4O3 — CID 124044096

IUPAC[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCC1=NC=C(C=C1)C(=O)N2CCCC2C3=NC(=NO3)CCOCC4CC4
InChIInChI=1S/C19H24N4O3/c1-13-4-7-15(11-20-13)19(24)23-9-2-3-16(23)18-21-17(22-26-18)8-10-25-12-14-5-6-14/h4,7,11,14,16H,2-3,5-6,8-10,12H2,1H3
InChIKeyJGGILXLQULQDLL-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.90
Rot. Bonds7

About 5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine

5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine (PubChem CID 124044096) has the molecular formula C19H24N4O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine
PubChem CID124044096
Molecular FormulaC19H24N4O3
Molecular Weight356.40 g/mol
Exact Mass356.18
IUPAC Name[2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCC1=NC=C(C=C1)C(=O)N2CCCC2C3=NC(=NO3)CCOCC4CC4
InChIInChI=1S/C19H24N4O3/c1-13-4-7-15(11-20-13)19(24)23-9-2-3-16(23)18-21-17(22-26-18)8-10-25-12-14-5-6-14/h4,7,11,14,16H,2-3,5-6,8-10,12H2,1H3
InChIKeyJGGILXLQULQDLL-UHFFFAOYSA-N
XLogP1.90
TPSA81.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity487

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine with MolForge

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Related Compounds

US9670193, 23 (R)-N-(1-(diethylamino)propan-2-yl)-6-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)nicotinamide
CID 73347611
(1-methylpyrrol-2-yl)-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 71654659
(2S)-2-(methylamino)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-2-yl]propanamide
CID 145987993
N-hydroxy-N-[(2R)-2-[(6S)-6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-5-azaspiro[2.4]heptane-5-carbonyl]hexyl]formamide
CID 127049617
N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
CID 164881497
US9670193, 19 N-(1-(dimethylamino)propan-2-yl)-6-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)nicotinamide
CID 71577116
US9670193, 18 (R)-N-(1-(dimethylamino)propan-2-yl)-6-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)nicotinamide
CID 89601643
US9670193, 22 (R)-N-(1-(diethylamino)-3-methylbutan-2-yl)-6-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)nicotinamide
CID 89611386
N-((R)-1-((S)-2-Methylpyrrolidin-1-yl)propan-2-yl)-5-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)picolinamide
CID 122669607
US10711004, Example 84
CID 142421726
N-[(3S,5S)-1-methyl-5-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]benzamide
CID 25338279
1-{4,4-Difluoro-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-YL]pyrrolidin-1-YL}-2-(pyridin-4-YL)ethan-1-one
CID 110203100

Frequently Asked Questions

What is the IUPAC name of 5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine?
The IUPAC name of 5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine (CID 124044096) is [2-[3-[2-(cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine?
The canonical SMILES for 5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine is CC1=NC=C(C=C1)C(=O)N2CCCC2C3=NC(=NO3)CCOCC4CC4.
What is the InChIKey of 5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine?
The InChIKey is JGGILXLQULQDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13-4-7-15(11-20-13)19(24)23-9-2-3-16(23)18-21-17(22-26-18)8-10-25-12-14-5-6-14/h4,7,11,14,16H,2-3,5-6,8-10,12H2,1H3.
What are the key properties of 5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine?
5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine has a molecular weight of 356.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-{3-[2-(Cyclopropylmethoxy)ethyl]-1,2,4-oxadiazol-5-YL}pyrrolidine-1-carbonyl)-2-methylpyridine is sourced from PubChem (CID 124044096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).