3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea

C21H24ClFN4O2 — CID 10295548

IUPAC3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea
SMILESCCC(=O)N1CCC(N(C)C(=O)Nc2cnc(-c3cccc(F)c3)c(Cl)c2)CC1
InChIInChI=1S/C21H24ClFN4O2/c1-3-19(28)27-9-7-17(8-10-27)26(2)21(29)25-16-12-18(22)20(24-13-16)14-5-4-6-15(23)11-14/h4-6,11-13,17H,3,7-10H2,1-2H3,(H,25,29)
InChIKeyCFTDEVKIVWYZCB-UHFFFAOYSA-N
MW418.90 g/mol
LogP4.41
Rot. Bonds4

About 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea

3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea (PubChem CID 10295548) has the molecular formula C21H24ClFN4O2 and a molecular weight of 418.90 g/mol. Its IUPAC name is 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea
PubChem CID10295548
Molecular FormulaC21H24ClFN4O2
Molecular Weight418.90 g/mol
Exact Mass418.16
IUPAC Name3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea
SMILESCCC(=O)N1CCC(N(C)C(=O)Nc2cnc(-c3cccc(F)c3)c(Cl)c2)CC1
InChIInChI=1S/C21H24ClFN4O2/c1-3-19(28)27-9-7-17(8-10-27)26(2)21(29)25-16-12-18(22)20(24-13-16)14-5-4-6-15(23)11-14/h4-6,11-13,17H,3,7-10H2,1-2H3,(H,25,29)
InChIKeyCFTDEVKIVWYZCB-UHFFFAOYSA-N
XLogP4.41
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-acetylpiperidin-4-yl)-3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methylurea
CID 10179396
1-[1-(2-aminoacetyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
CID 20782190
3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-methyl-1-(1-propanoylpyrrolidin-3-yl)urea
CID 20829906
3-[4-(3-fluorophenyl)phenyl]-1-methyl-1-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]urea
CID 20782431
1-(1-benzoylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)pyrimidin-5-yl]-1-methylurea;methane
CID 158468317
3-[5-(3-fluorophenyl)-2-pyridinyl]-1-methyl-1-(1-methylsulfinylpiperidin-4-yl)urea
CID 71048951
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-[1-(pyridine-4-carbonyl)piperidin-4-yl]urea
CID 10161144
1-(1-acetylpiperidin-4-yl)-3-[2-fluoro-4-(3-fluorophenyl)phenyl]-1-methylurea
CID 20782216
3-[6-(3,5-difluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propylsulfonylpiperidin-4-yl)urea
CID 10138917
1-[4-[[5-chloro-4-(3-phenylphenyl)pyrimidin-2-yl]amino]piperidin-1-yl]propan-1-one
CID 172590781
3-[5-(3,5-difluorophenyl)pyrazin-2-yl]-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1-methylurea
CID 10275367
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 10114157

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea?
The IUPAC name of 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea (CID 10295548) is 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea?
The canonical SMILES for 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea is CCC(=O)N1CCC(N(C)C(=O)Nc2cnc(-c3cccc(F)c3)c(Cl)c2)CC1.
What is the InChIKey of 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea?
The InChIKey is CFTDEVKIVWYZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O2/c1-3-19(28)27-9-7-17(8-10-27)26(2)21(29)25-16-12-18(22)20(24-13-16)14-5-4-6-15(23)11-14/h4-6,11-13,17H,3,7-10H2,1-2H3,(H,25,29).
What are the key properties of 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea?
3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea has a molecular weight of 418.90 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-6-(3-fluorophenyl)-3-pyridinyl]-1-methyl-1-(1-propanoylpiperidin-4-yl)urea is sourced from PubChem (CID 10295548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).