N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one

C17H28N2O4 — CID 158855996

IUPACN-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one
SMILESCC(=O)C(C)C.Cc1ncc(CO)c(CNC(=O)C(C)C)c1O
InChIInChI=1S/C12H18N2O3.C5H10O/c1-7(2)12(17)14-5-10-9(6-15)4-13-8(3)11(10)16;1-4(2)5(3)6/h4,7,15-16H,5-6H2,1-3H3,(H,14,17);4H,1-3H3
InChIKeyJABCIVCBJONUAI-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.09
Rot. Bonds5

About N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one

N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one (PubChem CID 158855996) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one.

Molecular Properties

Compound NameN-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one
PubChem CID158855996
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one
SMILESCC(=O)C(C)C.Cc1ncc(CO)c(CNC(=O)C(C)C)c1O
InChIInChI=1S/C12H18N2O3.C5H10O/c1-7(2)12(17)14-5-10-9(6-15)4-13-8(3)11(10)16;1-4(2)5(3)6/h4,7,15-16H,5-6H2,1-3H3,(H,14,17);4H,1-3H3
InChIKeyJABCIVCBJONUAI-UHFFFAOYSA-N
XLogP2.09
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one with MolForge

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Related Compounds

5-(hydroxymethyl)-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol
CID 116686454
methyl 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-3-methylbutanoate
CID 116686269
1-(2-chloroethyl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1-nitrosourea;hydrochloride
CID 21483639
2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-methylpropanamide
CID 116686347
2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850733
4-[(dimethylsulfamoylamino)methyl]-3-hydroxy-5-(hydroxymethyl)-2-methylpyridine
CID 5220876
5-(hydroxymethyl)-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]-2-methylpyridin-3-ol
CID 116686427
5-(hydroxymethyl)-2-methyl-4-[(pent-4-yn-2-ylamino)methyl]pyridin-3-ol
CID 116686523
5-(hydroxymethyl)-2-methyl-4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]pyridin-3-ol
CID 116686414
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
(2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxobutyl)butanamide;ethane;5-(hydroxymethyl)-2-methyl-4-(methylaminomethyl)pyridin-3-ol;propane
CID 145054755
4-[[1-(2-chlorophenyl)ethylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686234

Frequently Asked Questions

What is the IUPAC name of N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one?
The IUPAC name of N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one (CID 158855996) is N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one.
What is the SMILES notation for N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one?
The canonical SMILES for N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one is CC(=O)C(C)C.Cc1ncc(CO)c(CNC(=O)C(C)C)c1O.
What is the InChIKey of N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one?
The InChIKey is JABCIVCBJONUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3.C5H10O/c1-7(2)12(17)14-5-10-9(6-15)4-13-8(3)11(10)16;1-4(2)5(3)6/h4,7,15-16H,5-6H2,1-3H3,(H,14,17);4H,1-3H3.
What are the key properties of N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one?
N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-methylpropanamide;3-methylbutan-2-one is sourced from PubChem (CID 158855996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).