1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea

C18H22N4O2 — CID 99713321

IUPAC1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
SMILESCCOc1ccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1
InChIInChI=1S/C18H22N4O2/c1-2-24-16-8-6-14(7-9-16)20-18(23)21-15-10-12-22(13-15)17-5-3-4-11-19-17/h3-9,11,15H,2,10,12-13H2,1H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyKDTDRDVFCDLDDL-OAHLLOKOSA-N
MW326.40 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea

1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea (PubChem CID 99713321) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
PubChem CID99713321
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
SMILESCCOc1ccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1
InChIInChI=1S/C18H22N4O2/c1-2-24-16-8-6-14(7-9-16)20-18(23)21-15-10-12-22(13-15)17-5-3-4-11-19-17/h3-9,11,15H,2,10,12-13H2,1H3,(H2,20,21,23)/t15-/m1/s1
InChIKeyKDTDRDVFCDLDDL-OAHLLOKOSA-N
XLogP2.88
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 126772803
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75433407
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
2-chloro-N-[2-(diethylamino)ethyl]-5-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 167919861
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
1-(4-ethoxyphenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633477
N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950910

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea (CID 99713321) is 1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea is CCOc1ccc(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
The InChIKey is KDTDRDVFCDLDDL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-24-16-8-6-14(7-9-16)20-18(23)21-15-10-12-22(13-15)17-5-3-4-11-19-17/h3-9,11,15H,2,10,12-13H2,1H3,(H2,20,21,23)/t15-/m1/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea?
1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea is sourced from PubChem (CID 99713321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).