1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

C18H22N4O — CID 90621427

IUPAC1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESO=C(NCCc1ccccc1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C18H22N4O/c23-18(20-12-9-15-6-2-1-3-7-15)21-16-10-13-22(14-16)17-8-4-5-11-19-17/h1-8,11,16H,9-10,12-14H2,(H2,20,21,23)
InChIKeyAHXUMRQWLXAZDL-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.20
Rot. Bonds5

About 1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (PubChem CID 90621427) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
PubChem CID90621427
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESO=C(NCCc1ccccc1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C18H22N4O/c23-18(20-12-9-15-6-2-1-3-7-15)21-16-10-13-22(14-16)17-8-4-5-11-19-17/h1-8,11,16H,9-10,12-14H2,(H2,20,21,23)
InChIKeyAHXUMRQWLXAZDL-UHFFFAOYSA-N
XLogP2.20
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 166181043
1-(3-methylsulfanylpropyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97240988
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
1-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 124612268
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
N-[2-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]ethyl]-1H-pyrazole-5-carboxamide
CID 166205676
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111337198
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea
CID 122245095
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (CID 90621427) is 1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is O=C(NCCc1ccccc1)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The InChIKey is AHXUMRQWLXAZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(20-12-9-15-6-2-1-3-7-15)21-16-10-13-22(14-16)17-8-4-5-11-19-17/h1-8,11,16H,9-10,12-14H2,(H2,20,21,23).
What are the key properties of 1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea has a molecular weight of 310.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 90621427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).