3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea

C19H23FN4O2S — CID 71048951

IUPAC3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea
SMILESCN(C(=O)Nc1ccc(-c2cccc(F)c2)cn1)C1CCN(S(C)=O)CC1
InChIInChI=1S/C19H23FN4O2S/c1-23(17-8-10-24(11-9-17)27(2)26)19(25)22-18-7-6-15(13-21-18)14-4-3-5-16(20)12-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,21,22,25)
InChIKeyHYFQCEZFNMVZIN-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.11
Rot. Bonds4

About 3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea

3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea (PubChem CID 71048951) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea
PubChem CID71048951
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea
SMILESCN(C(=O)Nc1ccc(-c2cccc(F)c2)cn1)C1CCN(S(C)=O)CC1
InChIInChI=1S/C19H23FN4O2S/c1-23(17-8-10-24(11-9-17)27(2)26)19(25)22-18-7-6-15(13-21-18)14-4-3-5-16(20)12-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,21,22,25)
InChIKeyHYFQCEZFNMVZIN-UHFFFAOYSA-N
XLogP3.11
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea
CID 20782431
1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea
CID 20782216
3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
CID 154764943
3-[4-(3-fluorophenyl)phenyl]-1-(4-hydroxyiminocyclohexyl)-1-methylurea
CID 20782434
3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10224124
1-(1-acetylpiperidin-4-yl)-3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methylurea
CID 10179396
3-(5-fluoro-2-pyridinyl)-1-methyl-1-[(3R)-oxolan-3-yl]urea
CID 99597516
3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea
CID 10295548
N-[5-[3-[1-(dimethylamino)ethyl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 50964552
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 10114157
tert-butyl 3-[[5-(3,5-difluorophenyl)-2-pyridinyl]carbamoyl-methylamino]pyrrolidine-1-carboxylate;3-[5-(3,5-difluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfonylpyrrolidin-3-yl)urea
CID 159649404
3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 10136719

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea?
The IUPAC name of 3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea (CID 71048951) is 3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea?
The canonical SMILES for 3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea is CN(C(=O)Nc1ccc(-c2cccc(F)c2)cn1)C1CCN(S(C)=O)CC1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea?
The InChIKey is HYFQCEZFNMVZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-23(17-8-10-24(11-9-17)27(2)26)19(25)22-18-7-6-15(13-21-18)14-4-3-5-16(20)12-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,21,22,25).
What are the key properties of 3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea?
3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea has a molecular weight of 390.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea is sourced from PubChem (CID 71048951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).