(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone

C15H23N3O2 — CID 103358239

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone
SMILESCCCc1cc(C(=O)N2CCC(C)(O)C2)cc(NC)n1
InChIInChI=1S/C15H23N3O2/c1-4-5-12-8-11(9-13(16-3)17-12)14(19)18-7-6-15(2,20)10-18/h8-9,20H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyXAARFOJFVRELMB-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.67
Rot. Bonds4

About (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone (PubChem CID 103358239) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone
PubChem CID103358239
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone
SMILESCCCc1cc(C(=O)N2CCC(C)(O)C2)cc(NC)n1
InChIInChI=1S/C15H23N3O2/c1-4-5-12-8-11(9-13(16-3)17-12)14(19)18-7-6-15(2,20)10-18/h8-9,20H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyXAARFOJFVRELMB-UHFFFAOYSA-N
XLogP1.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875022
[2-(ethylamino)-6-propan-2-yl-4-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358188
(3,5-dimethylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 113249178
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-propyl-1H-1,2,4-triazol-3-yl)methanone
CID 103357589
(4-butylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727447
(2-amino-6-methyl-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358238
(3,5-dibromo-4-hydroxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 136518776
(2-amino-6-propyl-4-pyridinyl)-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107459013
(2-chloro-6-propyl-4-pyridinyl)-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107454474
2-(methylamino)-N-(3-methylpentan-3-yl)-6-propylpyridine-4-carboxamide
CID 106331240
(2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355788
(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 113379995

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone (CID 103358239) is (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone is CCCc1cc(C(=O)N2CCC(C)(O)C2)cc(NC)n1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone?
The InChIKey is XAARFOJFVRELMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-5-12-8-11(9-13(16-3)17-12)14(19)18-7-6-15(2,20)10-18/h8-9,20H,4-7,10H2,1-3H3,(H,16,17).
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone has a molecular weight of 277.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-[2-(methylamino)-6-propyl-4-pyridinyl]methanone is sourced from PubChem (CID 103358239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).