1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea

C13H19N3O2 — CID 111573294

IUPAC1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)NCC1(CO)CC1
InChIInChI=1S/C13H19N3O2/c17-10-13(5-6-13)9-16-12(18)15-8-4-11-3-1-2-7-14-11/h1-3,7,17H,4-6,8-10H2,(H2,15,16,18)
InChIKeyWZLXQQHJTAIFIU-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.70
Rot. Bonds6

About 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 111573294) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
PubChem CID111573294
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCc1ccccn1)NCC1(CO)CC1
InChIInChI=1S/C13H19N3O2/c17-10-13(5-6-13)9-16-12(18)15-8-4-11-3-1-2-7-14-11/h1-3,7,17H,4-6,8-10H2,(H2,15,16,18)
InChIKeyWZLXQQHJTAIFIU-UHFFFAOYSA-N
XLogP0.70
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
2-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111600960
1-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-pyridin-2-ylethyl)urea
CID 60620267
[1-[(pyridin-2-ylmethylamino)methyl]cyclopentyl]methanol
CID 115358745
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
4-(2-pyridin-2-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216900
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea (CID 111573294) is 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea is O=C(NCCc1ccccn1)NCC1(CO)CC1.
What is the InChIKey of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is WZLXQQHJTAIFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-10-13(5-6-13)9-16-12(18)15-8-4-11-3-1-2-7-14-11/h1-3,7,17H,4-6,8-10H2,(H2,15,16,18).
What are the key properties of 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea?
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 249.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 111573294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).