1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea

C18H15N3O3 — CID 67109097

IUPAC1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc(-c2cccnc2)oc1=O
InChIInChI=1S/C18H15N3O3/c22-17-15(8-9-16(24-17)14-7-4-10-19-12-14)21-18(23)20-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,20,21,23)
InChIKeyUTXGKDLXTNUKSJ-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.02
Rot. Bonds4

About 1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea

1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea (PubChem CID 67109097) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
PubChem CID67109097
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc(-c2cccnc2)oc1=O
InChIInChI=1S/C18H15N3O3/c22-17-15(8-9-16(24-17)14-7-4-10-19-12-14)21-18(23)20-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,20,21,23)
InChIKeyUTXGKDLXTNUKSJ-UHFFFAOYSA-N
XLogP3.02
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxo-6-pyridin-3-ylpyran-3-yl)-3-prop-2-enylurea
CID 67108929
1-butyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea
CID 67108655
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
CID 47193920
N-methyl-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide
CID 67109071
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
1-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 108813626

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea?
The IUPAC name of 1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea (CID 67109097) is 1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea.
What is the SMILES notation for 1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea?
The canonical SMILES for 1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea is O=C(NCc1ccccc1)Nc1ccc(-c2cccnc2)oc1=O.
What is the InChIKey of 1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea?
The InChIKey is UTXGKDLXTNUKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-17-15(8-9-16(24-17)14-7-4-10-19-12-14)21-18(23)20-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,20,21,23).
What are the key properties of 1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea?
1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea has a molecular weight of 321.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-oxo-6-pyridin-3-ylpyran-3-yl)urea is sourced from PubChem (CID 67109097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).