1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea

C18H22N4O2 — CID 86807516

IUPAC1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(NCCOc1ccccc1)Nc1cnccc1N1CCCC1
InChIInChI=1S/C18H22N4O2/c23-18(20-10-13-24-15-6-2-1-3-7-15)21-16-14-19-9-8-17(16)22-11-4-5-12-22/h1-3,6-9,14H,4-5,10-13H2,(H2,20,21,23)
InChIKeyHASMQLKIPFADOG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.88
Rot. Bonds6

About 1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea

1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 86807516) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID86807516
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(NCCOc1ccccc1)Nc1cnccc1N1CCCC1
InChIInChI=1S/C18H22N4O2/c23-18(20-10-13-24-15-6-2-1-3-7-15)21-16-14-19-9-8-17(16)22-11-4-5-12-22/h1-3,6-9,14H,4-5,10-13H2,(H2,20,21,23)
InChIKeyHASMQLKIPFADOG-UHFFFAOYSA-N
XLogP2.88
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-2-piperidin-1-ylaniline
CID 78820561
N-[2-(4-propan-2-ylphenoxy)ethyl]-3-pyrrolidin-1-ylpyridine-4-carboxamide
CID 167775993
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
N-(2-phenoxyethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
CID 42690654
1-(2-phenoxyethyl)-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 91624883
1-[2-(azepan-1-yl)phenyl]-3-propylurea
CID 47201899
1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
CID 86987075
1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887175
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-3-(2-phenoxyethyl)urea
CID 90545898
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
CID 108887027

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea (CID 86807516) is 1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea is O=C(NCCOc1ccccc1)Nc1cnccc1N1CCCC1.
What is the InChIKey of 1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is HASMQLKIPFADOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(20-10-13-24-15-6-2-1-3-7-15)21-16-14-19-9-8-17(16)22-11-4-5-12-22/h1-3,6-9,14H,4-5,10-13H2,(H2,20,21,23).
What are the key properties of 1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea?
1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 326.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 86807516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).