1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea

C12H13N3O3 — CID 75462308

IUPAC1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea
SMILESCn1cc(NC(=O)NCc2ccoc2)ccc1=O
InChIInChI=1S/C12H13N3O3/c1-15-7-10(2-3-11(15)16)14-12(17)13-6-9-4-5-18-8-9/h2-5,7-8H,6H2,1H3,(H2,13,14,17)
InChIKeyZRDCGYDSIQUNOM-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.30
Rot. Bonds3

About 1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea

1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea (PubChem CID 75462308) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea
PubChem CID75462308
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea
SMILESCn1cc(NC(=O)NCc2ccoc2)ccc1=O
InChIInChI=1S/C12H13N3O3/c1-15-7-10(2-3-11(15)16)14-12(17)13-6-9-4-5-18-8-9/h2-5,7-8H,6H2,1H3,(H2,13,14,17)
InChIKeyZRDCGYDSIQUNOM-UHFFFAOYSA-N
XLogP1.30
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea (CID 75462308) is 1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea is Cn1cc(NC(=O)NCc2ccoc2)ccc1=O.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The InChIKey is ZRDCGYDSIQUNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-15-7-10(2-3-11(15)16)14-12(17)13-6-9-4-5-18-8-9/h2-5,7-8H,6H2,1H3,(H2,13,14,17).
What are the key properties of 1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea?
1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea has a molecular weight of 247.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-(1-methyl-6-oxo-3-pyridinyl)urea is sourced from PubChem (CID 75462308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).