1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea

C17H19FN4O — CID 24651164

IUPAC1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(N2CCCC2)c1)Nc1ccccc1F
InChIInChI=1S/C17H19FN4O/c18-14-5-1-2-6-15(14)21-17(23)20-12-13-7-8-19-16(11-13)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2,(H2,20,21,23)
InChIKeyVJNOXEYRYCZUJX-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.14
Rot. Bonds4

About 1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea

1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (PubChem CID 24651164) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
PubChem CID24651164
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(N2CCCC2)c1)Nc1ccccc1F
InChIInChI=1S/C17H19FN4O/c18-14-5-1-2-6-15(14)21-17(23)20-12-13-7-8-19-16(11-13)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2,(H2,20,21,23)
InChIKeyVJNOXEYRYCZUJX-UHFFFAOYSA-N
XLogP3.14
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 87003335
1-(2-methylsulfanylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 87003359
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 50830146
2-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 134004428
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
1-[(1-phenylcyclopropyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 36964043
1-[2-(3-fluorophenyl)ethyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 36962409
1-(4-phenylbutan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 42954515
2-hydroxy-2-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 111432227

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea (CID 24651164) is 1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is O=C(NCc1ccnc(N2CCCC2)c1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is VJNOXEYRYCZUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-5-1-2-6-15(14)21-17(23)20-12-13-7-8-19-16(11-13)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2,(H2,20,21,23).
What are the key properties of 1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea?
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 314.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 24651164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).