4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine

C25H33N3O4 — CID 67437784

IUPAC4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
SMILESCN(C)CCOC(C)(c1ccccc1)c1ccccn1.Cc1ncc(CO)c(CO)c1O
InChIInChI=1S/C17H22N2O.C8H11NO3/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;1-5-8(12)7(4-11)6(3-10)2-9-5/h4-12H,13-14H2,1-3H3;2,10-12H,3-4H2,1H3
InChIKeyBVFPJMPNUAPDDE-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.00
Rot. Bonds8

About 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine

4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine (PubChem CID 67437784) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine.

Molecular Properties

Compound Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
PubChem CID67437784
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
SMILESCN(C)CCOC(C)(c1ccccc1)c1ccccn1.Cc1ncc(CO)c(CO)c1O
InChIInChI=1S/C17H22N2O.C8H11NO3/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;1-5-8(12)7(4-11)6(3-10)2-9-5/h4-12H,13-14H2,1-3H3;2,10-12H,3-4H2,1H3
InChIKeyBVFPJMPNUAPDDE-UHFFFAOYSA-N
XLogP3.00
TPSA98.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine with MolForge

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Related Compounds

butanedioate;butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CID 23617069
N-methyl-N-[2-(1-phenyl-1-pyridin-2-ylethoxy)ethyl]nitrous amide
CID 171390106
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
N-diphenoxyphosphoryl-N-methyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CID 91056343
2-[1-(4-iodophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
CID 24838112
N,N-dimethyl-2-(1-pyridin-2-yl-1-thiophen-2-ylethoxy)ethanamine;hydrochloride
CID 3056387
tris(butanedioic acid);bis(N,N-dimethyl-2-(1-phenyl-1-pyridin-4-ylethoxy)ethanamine)
CID 163339088
2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine;hydrochloride
CID 11223
4-[[4-(dimethylamino)butan-2-ylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686363
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hexanedioic acid
CID 175280730
4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 114941187
2-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
CID 67319865

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine?
The IUPAC name of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine (CID 67437784) is 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine.
What is the SMILES notation for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine?
The canonical SMILES for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine is CN(C)CCOC(C)(c1ccccc1)c1ccccn1.Cc1ncc(CO)c(CO)c1O.
What is the InChIKey of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine?
The InChIKey is BVFPJMPNUAPDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.C8H11NO3/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;1-5-8(12)7(4-11)6(3-10)2-9-5/h4-12H,13-14H2,1-3H3;2,10-12H,3-4H2,1H3.
What are the key properties of 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine?
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine has a molecular weight of 439.56 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine is sourced from PubChem (CID 67437784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).