(3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone

C12H17N3O3 — CID 106673820

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CC(O)C(O)C2)cc(C)n1
InChIInChI=1S/C12H17N3O3/c1-7-3-8(4-11(13-2)14-7)12(18)15-5-9(16)10(17)6-15/h3-4,9-10,16-17H,5-6H2,1-2H3,(H,13,14)
InChIKeyIUJFAMUOKOEHHI-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.39
Rot. Bonds2

About (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone

(3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone (PubChem CID 106673820) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone
PubChem CID106673820
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone
SMILESCNc1cc(C(=O)N2CC(O)C(O)C2)cc(C)n1
InChIInChI=1S/C12H17N3O3/c1-7-3-8(4-11(13-2)14-7)12(18)15-5-9(16)10(17)6-15/h3-4,9-10,16-17H,5-6H2,1-2H3,(H,13,14)
InChIKeyIUJFAMUOKOEHHI-UHFFFAOYSA-N
XLogP-0.39
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-methyl-6-(methylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 113378982
(3-hydroxy-4-methylpiperidin-1-yl)-[2-methyl-6-(propylamino)-4-pyridinyl]methanone
CID 102964734
[2-(ethylamino)-6-methyl-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681687
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
N-(2,2-dimethylcyclopropyl)-2-methyl-6-(methylamino)pyridine-4-carboxamide
CID 113379043
(2-hydrazinyl-6-methyl-4-pyridinyl)-morpholin-4-ylmethanone
CID 70843948
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 94367175
[2-methyl-6-(propylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 113378946
(2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799971
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 72904462
(3-ethoxypiperidin-1-yl)-(2-hydrazinyl-6-methyl-4-pyridinyl)methanone
CID 113379218
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone (CID 106673820) is (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone is CNc1cc(C(=O)N2CC(O)C(O)C2)cc(C)n1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone?
The InChIKey is IUJFAMUOKOEHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-3-8(4-11(13-2)14-7)12(18)15-5-9(16)10(17)6-15/h3-4,9-10,16-17H,5-6H2,1-2H3,(H,13,14).
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone?
(3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone has a molecular weight of 251.29 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-[2-methyl-6-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 106673820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).