1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea

C17H21N3O2 — CID 111793371

IUPAC1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
SMILESO=C(NCc1ccccc1)NCC(CO)Cc1ccccn1
InChIInChI=1S/C17H21N3O2/c21-13-15(10-16-8-4-5-9-18-16)12-20-17(22)19-11-14-6-2-1-3-7-14/h1-9,15,21H,10-13H2,(H2,19,20,22)
InChIKeyQZIWJBPLXFLPCM-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.73
Rot. Bonds7

About 1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea

1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea (PubChem CID 111793371) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
PubChem CID111793371
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
SMILESO=C(NCc1ccccc1)NCC(CO)Cc1ccccn1
InChIInChI=1S/C17H21N3O2/c21-13-15(10-16-8-4-5-9-18-16)12-20-17(22)19-11-14-6-2-1-3-7-14/h1-9,15,21H,10-13H2,(H2,19,20,22)
InChIKeyQZIWJBPLXFLPCM-UHFFFAOYSA-N
XLogP1.73
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-cyanophenyl)methyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793779
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111794675
1-[2-(4-fluorophenyl)ethyl]-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793440
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(3-phenylbutan-2-yl)urea
CID 111795206
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
1-(2,3-difluorophenyl)-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111840646
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-(2-thiophen-3-ylpropyl)urea
CID 111795197
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-methylcycloheptane-1-carboxamide
CID 110027805
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99814320

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
The IUPAC name of 1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea (CID 111793371) is 1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea.
What is the SMILES notation for 1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
The canonical SMILES for 1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea is O=C(NCc1ccccc1)NCC(CO)Cc1ccccn1.
What is the InChIKey of 1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
The InChIKey is QZIWJBPLXFLPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-13-15(10-16-8-4-5-9-18-16)12-20-17(22)19-11-14-6-2-1-3-7-14/h1-9,15,21H,10-13H2,(H2,19,20,22).
What are the key properties of 1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea?
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea has a molecular weight of 299.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea is sourced from PubChem (CID 111793371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).