2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide

C12H19N3O3 — CID 116686347

IUPAC2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide
SMILESCc1ncc(CO)c(CNC(C)(C)C(N)=O)c1O
InChIInChI=1S/C12H19N3O3/c1-7-10(17)9(8(6-16)4-14-7)5-15-12(2,3)11(13)18/h4,15-17H,5-6H2,1-3H3,(H2,13,18)
InChIKeyFFAHWVCIOSHBEH-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.06
Rot. Bonds5

About 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide

2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide (PubChem CID 116686347) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide
PubChem CID116686347
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide
SMILESCc1ncc(CO)c(CNC(C)(C)C(N)=O)c1O
InChIInChI=1S/C12H19N3O3/c1-7-10(17)9(8(6-16)4-14-7)5-15-12(2,3)11(13)18/h4,15-17H,5-6H2,1-3H3,(H2,13,18)
InChIKeyFFAHWVCIOSHBEH-UHFFFAOYSA-N
XLogP-0.06
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850733
ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol
CID 144604155
[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]thiourea
CID 50915210
4-[(2-hydroxyethylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 54137000
5-(hydroxymethyl)-4-[(methoxyamino)methyl]-2-methylpyridin-3-ol
CID 116686483
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one
CID 158855996
methyl 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-3-methylbutanoate
CID 116686269
4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine
CID 5220876
4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686331
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 114941187
2-(dimethylamino)-N'-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]acetohydrazide
CID 24838515

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide?
The IUPAC name of 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide (CID 116686347) is 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide is Cc1ncc(CO)c(CNC(C)(C)C(N)=O)c1O.
What is the InChIKey of 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide?
The InChIKey is FFAHWVCIOSHBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-10(17)9(8(6-16)4-14-7)5-15-12(2,3)11(13)18/h4,15-17H,5-6H2,1-3H3,(H2,13,18).
What are the key properties of 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide?
2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide has a molecular weight of 253.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide is sourced from PubChem (CID 116686347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).