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

C10H14FN3O2 — CID 75522495

IUPAC1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1ccncc1F
InChIInChI=1S/C10H14FN3O2/c1-7(15)2-5-13-10(16)14-9-3-4-12-6-8(9)11/h3-4,6-7,15H,2,5H2,1H3,(H2,12,13,14,16)
InChIKeyGDUAPQNMUBZPBB-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.11
Rot. Bonds4

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

1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea (PubChem CID 75522495) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea
PubChem CID75522495
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)Nc1ccncc1F
InChIInChI=1S/C10H14FN3O2/c1-7(15)2-5-13-10(16)14-9-3-4-12-6-8(9)11/h3-4,6-7,15H,2,5H2,1H3,(H2,12,13,14,16)
InChIKeyGDUAPQNMUBZPBB-UHFFFAOYSA-N
XLogP1.11
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336755
tert-butyl 2-[(3-fluoro-4-pyridinyl)carbamoylamino]acetate
CID 122141871
2-bromo-N-(3-fluoro-4-pyridinyl)-3-methylbutanamide
CID 107594812
2,2-difluoro-N-(3-fluoro-4-pyridinyl)acetamide
CID 107595585
3-(ethylamino)-N-(3-fluoro-4-pyridinyl)-2-methylpropanamide
CID 107595018
1-(3-hydroxybutyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
CID 109399192
3-amino-N-(3-fluoro-4-pyridinyl)-2-methyl-3-sulfanylidenepropanamide
CID 107595138
N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
CID 171523645
1-(3-fluoro-4-pyridinyl)-3-(1-methylcyclobutyl)urea
CID 75506441
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
2-amino-N-(3-fluoro-4-pyridinyl)-3-methoxypropanamide
CID 107594933
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea (CID 75522495) is 1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)Nc1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea?
The InChIKey is GDUAPQNMUBZPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-7(15)2-5-13-10(16)14-9-3-4-12-6-8(9)11/h3-4,6-7,15H,2,5H2,1H3,(H2,12,13,14,16).
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea?
1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea has a molecular weight of 227.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 75522495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).