[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone

C13H19N3O2 — CID 81240172

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCCC1CO
InChIInChI=1S/C13H19N3O2/c1-9-6-12(14-2)11(7-15-9)13(18)16-5-3-4-10(16)8-17/h6-7,10,17H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyIIKUBCSGNZOGGR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.03
Rot. Bonds3

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

[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone (PubChem CID 81240172) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
PubChem CID81240172
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
SMILESCNc1cc(C)ncc1C(=O)N1CCCC1CO
InChIInChI=1S/C13H19N3O2/c1-9-6-12(14-2)11(7-15-9)13(18)16-5-3-4-10(16)8-17/h6-7,10,17H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyIIKUBCSGNZOGGR-UHFFFAOYSA-N
XLogP1.03
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637942
(4-chloro-6-methyl-3-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634475
[4-(ethylamino)-6-methyl-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 81235968
[2-(hydroxymethyl)azepan-1-yl]-[4-methyl-2-(methylamino)phenyl]methanone
CID 116637899
[2-(hydroxymethyl)azepan-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 116637955
(3,6-dimethylpyridazin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104671185
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81256333
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 62173422
[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
CID 105071412
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone
CID 81235678
[2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(methylamino)pyrazin-2-yl]methanone
CID 107375092
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81238240

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone (CID 81240172) is [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone is CNc1cc(C)ncc1C(=O)N1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
The InChIKey is IIKUBCSGNZOGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-12(14-2)11(7-15-9)13(18)16-5-3-4-10(16)8-17/h6-7,10,17H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone has a molecular weight of 249.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-[6-methyl-4-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81240172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).