[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone

C15H22N2O3 — CID 99776885

IUPAC[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone
SMILESCC[C@H](C)Oc1cc(C(=O)N2CC[C@](C)(O)C2)ccn1
InChIInChI=1S/C15H22N2O3/c1-4-11(2)20-13-9-12(5-7-16-13)14(18)17-8-6-15(3,19)10-17/h5,7,9,11,19H,4,6,8,10H2,1-3H3/t11-,15-/m0/s1
InChIKeyNVGQHMCDFMWREU-NHYWBVRUSA-N
MW278.35 g/mol
LogP1.86
Rot. Bonds4

About [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone

[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone (PubChem CID 99776885) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone
PubChem CID99776885
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone
SMILESCC[C@H](C)Oc1cc(C(=O)N2CC[C@](C)(O)C2)ccn1
InChIInChI=1S/C15H22N2O3/c1-4-11(2)20-13-9-12(5-7-16-13)14(18)17-8-6-15(3,19)10-17/h5,7,9,11,19H,4,6,8,10H2,1-3H3/t11-,15-/m0/s1
InChIKeyNVGQHMCDFMWREU-NHYWBVRUSA-N
XLogP1.86
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 84596637
(2-butan-2-yloxy-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 75483584
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone
CID 97338435
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537390
(2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75446913
2-[4-(2-butan-2-yloxypyridine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520600
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113249178
(3-amino-3-methylpyrrolidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 139360995
[4-(ethylamino)-2-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358193

Frequently Asked Questions

What is the IUPAC name of [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone (CID 99776885) is [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone is CC[C@H](C)Oc1cc(C(=O)N2CC[C@](C)(O)C2)ccn1.
What is the InChIKey of [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is NVGQHMCDFMWREU-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-11(2)20-13-9-12(5-7-16-13)14(18)17-8-6-15(3,19)10-17/h5,7,9,11,19H,4,6,8,10H2,1-3H3/t11-,15-/m0/s1.
What are the key properties of [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone?
[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 278.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 99776885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).