1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea

C13H21N3O2 — CID 126801666

IUPAC1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea
SMILESCC(CCCO)NC(=O)NCCc1cccnc1
InChIInChI=1S/C13H21N3O2/c1-11(4-3-9-17)16-13(18)15-8-6-12-5-2-7-14-10-12/h2,5,7,10-11,17H,3-4,6,8-9H2,1H3,(H2,15,16,18)
InChIKeyHBLGPPLPEMKLJZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.08
Rot. Bonds7

About 1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea

1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea (PubChem CID 126801666) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea
PubChem CID126801666
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea
SMILESCC(CCCO)NC(=O)NCCc1cccnc1
InChIInChI=1S/C13H21N3O2/c1-11(4-3-9-17)16-13(18)15-8-6-12-5-2-7-14-10-12/h2,5,7,10-11,17H,3-4,6,8-9H2,1H3,(H2,15,16,18)
InChIKeyHBLGPPLPEMKLJZ-UHFFFAOYSA-N
XLogP1.08
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187
1-(5-hydroxypentan-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109398845
(2S)-3,3-dimethyl-2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204039
2-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 61204035
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697
2-amino-4-methyl-N-(2-pyridin-3-ylethyl)pentanamide
CID 60913916
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
N-(4-hydroxybutan-2-yl)-2-pyridin-3-ylacetamide
CID 115283484
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea (CID 126801666) is 1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea is CC(CCCO)NC(=O)NCCc1cccnc1.
What is the InChIKey of 1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is HBLGPPLPEMKLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11(4-3-9-17)16-13(18)15-8-6-12-5-2-7-14-10-12/h2,5,7,10-11,17H,3-4,6,8-9H2,1H3,(H2,15,16,18).
What are the key properties of 1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea?
1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 251.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentan-2-yl)-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 126801666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).