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

C11H17N3O2 — CID 110892181

IUPAC1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCCO)NCCc1ccccn1
InChIInChI=1S/C11H17N3O2/c15-9-3-7-13-11(16)14-8-5-10-4-1-2-6-12-10/h1-2,4,6,15H,3,5,7-9H2,(H2,13,14,16)
InChIKeyNPZOZDNLKHBCIU-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.31
Rot. Bonds6

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

1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea (PubChem CID 110892181) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
PubChem CID110892181
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
SMILESO=C(NCCCO)NCCc1ccccn1
InChIInChI=1S/C11H17N3O2/c15-9-3-7-13-11(16)14-8-5-10-4-1-2-6-12-10/h1-2,4,6,15H,3,5,7-9H2,(H2,13,14,16)
InChIKeyNPZOZDNLKHBCIU-UHFFFAOYSA-N
XLogP0.31
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-pyridin-2-ylethylcarbamoylamino)hexanoic acid
CID 61185229
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294
1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
CID 60547411
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
CID 48544874
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea (CID 110892181) is 1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea is O=C(NCCCO)NCCc1ccccn1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is NPZOZDNLKHBCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-9-3-7-13-11(16)14-8-5-10-4-1-2-6-12-10/h1-2,4,6,15H,3,5,7-9H2,(H2,13,14,16).
What are the key properties of 1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea?
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 223.28 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 110892181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).