1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea

C16H18FN3O3 — CID 138053849

IUPAC1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea
SMILESCC(C)Oc1cnccc1NC(=O)NCc1c(O)cccc1F
InChIInChI=1S/C16H18FN3O3/c1-10(2)23-15-9-18-7-6-13(15)20-16(22)19-8-11-12(17)4-3-5-14(11)21/h3-7,9-10,21H,8H2,1-2H3,(H2,18,19,20,22)
InChIKeyBOJLTEZFYFUWIS-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.04
Rot. Bonds5

About 1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea

1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea (PubChem CID 138053849) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea
PubChem CID138053849
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea
SMILESCC(C)Oc1cnccc1NC(=O)NCc1c(O)cccc1F
InChIInChI=1S/C16H18FN3O3/c1-10(2)23-15-9-18-7-6-13(15)20-16(22)19-8-11-12(17)4-3-5-14(11)21/h3-7,9-10,21H,8H2,1-2H3,(H2,18,19,20,22)
InChIKeyBOJLTEZFYFUWIS-UHFFFAOYSA-N
XLogP3.04
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(dimethylamino)methyl]-4-pyridinyl]-3-[(2-fluoro-6-hydroxyphenyl)methyl]urea
CID 138025967
1-[5-(2-phenylethyl)-1H-pyrazol-3-yl]-3-(3-propan-2-yloxy-4-pyridinyl)urea
CID 166349253
trans-(1R,2R)-2-(3-hydroxyphenyl)-N-(3-propan-2-yloxy-4-pyridinyl)cyclopropane-1-carboxamide
CID 138021994
1-(3-fluoro-4-pyridinyl)-3-(3-hydroxybutyl)urea
CID 75522495
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
N-[(3-fluoro-4-pyridinyl)methyl]-2-methylpropanamide
CID 171523645
N-(3-fluoro-4-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 113342447
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
1-(2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 47041181
2-(2-fluorophenyl)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034524
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea
CID 91660536
2-[2-(difluoromethoxy)phenyl]-N-(3-fluoro-4-pyridinyl)acetamide
CID 122156107

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea?
The IUPAC name of 1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea (CID 138053849) is 1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea.
What is the SMILES notation for 1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea?
The canonical SMILES for 1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea is CC(C)Oc1cnccc1NC(=O)NCc1c(O)cccc1F.
What is the InChIKey of 1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea?
The InChIKey is BOJLTEZFYFUWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10(2)23-15-9-18-7-6-13(15)20-16(22)19-8-11-12(17)4-3-5-14(11)21/h3-7,9-10,21H,8H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea?
1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea has a molecular weight of 319.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-6-hydroxyphenyl)methyl]-3-(3-propan-2-yloxy-4-pyridinyl)urea is sourced from PubChem (CID 138053849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).