(2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C15H21ClN2O2 — CID 103355788

IUPAC(2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(Cl)nc(C(C)(C)C)c2)C1
InChIInChI=1S/C15H21ClN2O2/c1-14(2,3)11-7-10(8-12(16)17-11)13(19)18-6-5-15(4,20)9-18/h7-8,20H,5-6,9H2,1-4H3
InChIKeyQRWXGFTXSPHRSM-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.63
Rot. Bonds1

About (2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

(2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103355788) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103355788
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc(Cl)nc(C(C)(C)C)c2)C1
InChIInChI=1S/C15H21ClN2O2/c1-14(2,3)11-7-10(8-12(16)17-11)13(19)18-6-5-15(4,20)9-18/h7-8,20H,5-6,9H2,1-4H3
InChIKeyQRWXGFTXSPHRSM-UHFFFAOYSA-N
XLogP2.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-tert-butyl-6-chloro-4-pyridinyl)-(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-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875022
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113249178
1-(2-tert-butyl-6-chloropyridine-4-carbonyl)imidazolidin-2-one
CID 113379843
(2-tert-butyl-6-chloro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678233
(2-tert-butyl-6-chloro-4-pyridinyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532700
(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358238
1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151782
(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 113379995
(3,5-dibromo-4-hydroxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 136518776
(4-chloro-3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113343512
(3,4-dihydroxyphenyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 103958250
[2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358188

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103355788) is (2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cc(Cl)nc(C(C)(C)C)c2)C1.
What is the InChIKey of (2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is QRWXGFTXSPHRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-14(2,3)11-7-10(8-12(16)17-11)13(19)18-6-5-15(4,20)9-18/h7-8,20H,5-6,9H2,1-4H3.
What are the key properties of (2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
(2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 296.80 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103355788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).