1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea

C15H16FN5O — CID 75506392

IUPAC1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESO=C(Nc1ccncc1F)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C15H16FN5O/c16-12-9-17-7-4-13(12)20-15(22)19-11-5-8-21(10-11)14-3-1-2-6-18-14/h1-4,6-7,9,11H,5,8,10H2,(H2,17,19,20,22)
InChIKeyZBXQMBWTYJGXMP-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.02
Rot. Bonds3

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

1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (PubChem CID 75506392) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
PubChem CID75506392
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
SMILESO=C(Nc1ccncc1F)NC1CCN(c2ccccn2)C1
InChIInChI=1S/C15H16FN5O/c16-12-9-17-7-4-13(12)20-15(22)19-11-5-8-21(10-11)14-3-1-2-6-18-14/h1-4,6-7,9,11H,5,8,10H2,(H2,17,19,20,22)
InChIKeyZBXQMBWTYJGXMP-UHFFFAOYSA-N
XLogP2.02
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-[1-(5-amino-2-pyridinyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 67293554
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 126772803
1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97335866
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
1-(2-methyl-4-pyrazol-1-ylphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 124854450
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
1-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[3-(triazol-1-yl)phenyl]urea
CID 124568770

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea (CID 75506392) is 1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is O=C(Nc1ccncc1F)NC1CCN(c2ccccn2)C1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
The InChIKey is ZBXQMBWTYJGXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c16-12-9-17-7-4-13(12)20-15(22)19-11-5-8-21(10-11)14-3-1-2-6-18-14/h1-4,6-7,9,11H,5,8,10H2,(H2,17,19,20,22).
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea?
1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea has a molecular weight of 301.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea is sourced from PubChem (CID 75506392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).