1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

C16H17ClN4O — CID 90621421

IUPAC1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C16H17ClN4O/c17-12-4-6-13(7-5-12)19-16(22)20-14-8-10-21(11-14)15-3-1-2-9-18-15/h1-7,9,14H,8,10-11H2,(H2,19,20,22)
InChIKeyFOADFUYNKOTBGM-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.14
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (PubChem CID 90621421) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
PubChem CID90621421
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C16H17ClN4O/c17-12-4-6-13(7-5-12)19-16(22)20-14-8-10-21(11-14)15-3-1-2-9-18-15/h1-7,9,14H,8,10-11H2,(H2,19,20,22)
InChIKeyFOADFUYNKOTBGM-UHFFFAOYSA-N
XLogP3.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 126772803
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
(E)-3-(4-chlorophenyl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)prop-2-enamide
CID 90621335
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75506392
1-(5-methyl-6-oxo-1H-pyridin-3-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 75433407
1-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[3-(triazol-1-yl)phenyl]urea
CID 124568770
2-chloro-N-[2-(diethylamino)ethyl]-5-[(1-pyridin-2-ylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 167919861

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (CID 90621421) is 1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is O=C(Nc1ccc(Cl)cc1)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The InChIKey is FOADFUYNKOTBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-12-4-6-13(7-5-12)19-16(22)20-14-8-10-21(11-14)15-3-1-2-9-18-15/h1-7,9,14H,8,10-11H2,(H2,19,20,22).
What are the key properties of 1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea has a molecular weight of 316.79 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 90621421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).