1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea

C11H14FN3O — CID 75506441

IUPAC1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea
SMILESCC1(NC(=O)Nc2ccncc2F)CCC1
InChIInChI=1S/C11H14FN3O/c1-11(4-2-5-11)15-10(16)14-9-3-6-13-7-8(9)12/h3,6-7H,2,4-5H2,1H3,(H2,13,14,15,16)
InChIKeyUHVAREQSOAEPBT-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.28
Rot. Bonds2

About 1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea

1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea (PubChem CID 75506441) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea
PubChem CID75506441
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea
SMILESCC1(NC(=O)Nc2ccncc2F)CCC1
InChIInChI=1S/C11H14FN3O/c1-11(4-2-5-11)15-10(16)14-9-3-6-13-7-8(9)12/h3,6-7H,2,4-5H2,1H3,(H2,13,14,15,16)
InChIKeyUHVAREQSOAEPBT-UHFFFAOYSA-N
XLogP2.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea (CID 75506441) is 1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea is CC1(NC(=O)Nc2ccncc2F)CCC1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea?
The InChIKey is UHVAREQSOAEPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-11(4-2-5-11)15-10(16)14-9-3-6-13-7-8(9)12/h3,6-7H,2,4-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea?
1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea has a molecular weight of 223.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea is sourced from PubChem (CID 75506441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).