5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol

C17H23N3O2 — CID 56721630

IUPAC5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CN(C)C(C)Cc2ccccn2)c1O
InChIInChI=1S/C17H23N3O2/c1-12(8-15-6-4-5-7-18-15)20(3)10-16-14(11-21)9-19-13(2)17(16)22/h4-7,9,12,21-22H,8,10-11H2,1-3H3
InChIKeyVNQKEBZHRLESQI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.05
Rot. Bonds6

About 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol

5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol (PubChem CID 56721630) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol
PubChem CID56721630
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol
SMILESCc1ncc(CO)c(CN(C)C(C)Cc2ccccn2)c1O
InChIInChI=1S/C17H23N3O2/c1-12(8-15-6-4-5-7-18-15)20(3)10-16-14(11-21)9-19-13(2)17(16)22/h4-7,9,12,21-22H,8,10-11H2,1-3H3
InChIKeyVNQKEBZHRLESQI-UHFFFAOYSA-N
XLogP2.05
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol with MolForge

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-[[methyl-[(1R)-1-pyridin-3-ylpropyl]amino]methyl]pyridin-3-ol
CID 95230670
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol
CID 135828521
(2R)-N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-1-pyridin-2-ylpropan-2-amine
CID 95119763
4-[[2-aminoethyl-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 57132487
(2S)-N-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-N-methyl-1-pyridin-2-ylpropan-2-amine
CID 51871878
4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686363
N-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-pyridin-2-ylpropan-2-amine
CID 50980184
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CID 67437784
5-(hydroxymethyl)-2-methyl-4-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]pyridin-3-ol
CID 116686412
4-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 104892603

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol (CID 56721630) is 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol is Cc1ncc(CO)c(CN(C)C(C)Cc2ccccn2)c1O.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol?
The InChIKey is VNQKEBZHRLESQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(8-15-6-4-5-7-18-15)20(3)10-16-14(11-21)9-19-13(2)17(16)22/h4-7,9,12,21-22H,8,10-11H2,1-3H3.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol?
5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol has a molecular weight of 301.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 56721630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).