1-propyl-3-(2-pyridin-3-ylethyl)urea

C11H17N3O — CID 115578203

IUPAC1-propyl-3-(2-pyridin-3-ylethyl)urea
SMILESCCCNC(=O)NCCc1cccnc1
InChIInChI=1S/C11H17N3O/c1-2-6-13-11(15)14-8-5-10-4-3-7-12-9-10/h3-4,7,9H,2,5-6,8H2,1H3,(H2,13,14,15)
InChIKeyGQOCUKIQWPYCAG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.33
Rot. Bonds5

About 1-propyl-3-(2-pyridin-3-ylethyl)urea

1-propyl-3-(2-pyridin-3-ylethyl)urea (PubChem CID 115578203) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-propyl-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-propyl-3-(2-pyridin-3-ylethyl)urea
PubChem CID115578203
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-propyl-3-(2-pyridin-3-ylethyl)urea
SMILESCCCNC(=O)NCCc1cccnc1
InChIInChI=1S/C11H17N3O/c1-2-6-13-11(15)14-8-5-10-4-3-7-12-9-10/h3-4,7,9H,2,5-6,8H2,1H3,(H2,13,14,15)
InChIKeyGQOCUKIQWPYCAG-UHFFFAOYSA-N
XLogP1.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
2-ethyl-2-[(2-pyridin-3-ylethylcarbamoylamino)methyl]butanoic acid
CID 115430903
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204035
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
3-methoxy-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 103158690
methyl 2-oxo-2-(2-pyridin-3-ylethylamino)acetate
CID 112616794
2,2,3-trimethyl-3-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 65266580
(2S)-3,3-dimethyl-2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204039
1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3720168
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
4-oxo-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 60914981

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-propyl-3-(2-pyridin-3-ylethyl)urea (CID 115578203) is 1-propyl-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-propyl-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-propyl-3-(2-pyridin-3-ylethyl)urea is CCCNC(=O)NCCc1cccnc1.
What is the InChIKey of 1-propyl-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is GQOCUKIQWPYCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-6-13-11(15)14-8-5-10-4-3-7-12-9-10/h3-4,7,9H,2,5-6,8H2,1H3,(H2,13,14,15).
What are the key properties of 1-propyl-3-(2-pyridin-3-ylethyl)urea?
1-propyl-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 207.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 115578203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).