1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

C17H22N4O2 — CID 109398549

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCN(C)c1cccc(CNC(=O)NCc2ccccc2CO)n1
InChIInChI=1S/C17H22N4O2/c1-21(2)16-9-5-8-15(20-16)11-19-17(23)18-10-13-6-3-4-7-14(13)12-22/h3-9,22H,10-12H2,1-2H3,(H2,18,19,23)
InChIKeyOKGAFOLQHZLBSX-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.64
Rot. Bonds6

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 109398549) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID109398549
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCN(C)c1cccc(CNC(=O)NCc2ccccc2CO)n1
InChIInChI=1S/C17H22N4O2/c1-21(2)16-9-5-8-15(20-16)11-19-17(23)18-10-13-6-3-4-7-14(13)12-22/h3-9,22H,10-12H2,1-2H3,(H2,18,19,23)
InChIKeyOKGAFOLQHZLBSX-UHFFFAOYSA-N
XLogP1.64
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-(1-hydroxypropan-2-yl)urea
CID 109399230
4-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]butanoic acid
CID 122007866
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 75388984
1-[6-(dimethylamino)-3-pyridinyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911313
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 75388974
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-thiophen-3-ylurea
CID 84593325
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 109402723
cis-(1S,3R)-3-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066365
methyl 6-[[6-(dimethylamino)-2-pyridinyl]methylcarbamoylamino]hexanoate
CID 75514046
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 75389178
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 71909940
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]urea
CID 84589715

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 109398549) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is CN(C)c1cccc(CNC(=O)NCc2ccccc2CO)n1.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is OKGAFOLQHZLBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(2)16-9-5-8-15(20-16)11-19-17(23)18-10-13-6-3-4-7-14(13)12-22/h3-9,22H,10-12H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 109398549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).