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

C16H17FN4O — CID 69083753

IUPAC[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(N2CCCC2c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H17FN4O/c17-12-5-3-11(4-6-12)14-2-1-9-21(14)13-7-8-19-15(10-13)20-16(18)22/h3-8,10,14H,1-2,9H2,(H3,18,19,20,22)
InChIKeyJQTDLFVIBXSMQL-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.05
Rot. Bonds3

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

[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea (PubChem CID 69083753) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is [4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea
PubChem CID69083753
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea
SMILESNC(=O)Nc1cc(N2CCCC2c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H17FN4O/c17-12-5-3-11(4-6-12)14-2-1-9-21(14)13-7-8-19-15(10-13)20-16(18)22/h3-8,10,14H,1-2,9H2,(H3,18,19,20,22)
InChIKeyJQTDLFVIBXSMQL-UHFFFAOYSA-N
XLogP3.05
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
1-(4-Fluorophenyl)-3-(5-methylpyridin-2-yl)urea
CID 701006
N-(3-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 970494
1-(5-Bromopyridin-2-yl)-3-{2-[3-(dimethylamino)-2,6-difluorophenyl]ethyl}urea
CID 469200
Piperazine-1-carboxamide, 4
CID 2741409
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393091
2-N-[2-(4-fluorophenyl)ethyl]-4-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine
CID 44393092
1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)-1-(4-methylpyridin-2-yl)-3-phenylurea
CID 912947
2-(3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide
CID 2738281
N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide
CID 2815600
N-(5-fluoro-2-methylphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carboxamide
CID 2815720

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea?
The IUPAC name of [4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea (CID 69083753) is [4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea.
What is the SMILES notation for [4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea?
The canonical SMILES for [4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea is NC(=O)Nc1cc(N2CCCC2c2ccc(F)cc2)ccn1.
What is the InChIKey of [4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea?
The InChIKey is JQTDLFVIBXSMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-12-5-3-11(4-6-12)14-2-1-9-21(14)13-7-8-19-15(10-13)20-16(18)22/h3-8,10,14H,1-2,9H2,(H3,18,19,20,22).
What are the key properties of [4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea?
[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea has a molecular weight of 300.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-pyridinyl]urea is sourced from PubChem (CID 69083753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).