1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea

C19H23N3O2 — CID 1450035

IUPAC1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea
SMILESO=C(Nc1cccn(Cc2ccccc2)c1=O)NC1CCCCC1
InChIInChI=1S/C19H23N3O2/c23-18-17(21-19(24)20-16-10-5-2-6-11-16)12-7-13-22(18)14-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H2,20,21,24)
InChIKeyIOVVUTWBBIFACT-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.35
Rot. Bonds4

About 1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea

1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea (PubChem CID 1450035) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea
PubChem CID1450035
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea
SMILESO=C(Nc1cccn(Cc2ccccc2)c1=O)NC1CCCCC1
InChIInChI=1S/C19H23N3O2/c23-18-17(21-19(24)20-16-10-5-2-6-11-16)12-7-13-22(18)14-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H2,20,21,24)
InChIKeyIOVVUTWBBIFACT-UHFFFAOYSA-N
XLogP3.35
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea?
The IUPAC name of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea (CID 1450035) is 1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea?
The canonical SMILES for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea is O=C(Nc1cccn(Cc2ccccc2)c1=O)NC1CCCCC1.
What is the InChIKey of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea?
The InChIKey is IOVVUTWBBIFACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-18-17(21-19(24)20-16-10-5-2-6-11-16)12-7-13-22(18)14-15-8-3-1-4-9-15/h1,3-4,7-9,12-13,16H,2,5-6,10-11,14H2,(H2,20,21,24).
What are the key properties of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea?
1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea has a molecular weight of 325.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-cyclohexylurea is sourced from PubChem (CID 1450035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).