1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea

C16H19N3O3 — CID 71982676

IUPAC1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea
SMILESCn1cccc(NC(=O)NCCOCc2ccccc2)c1=O
InChIInChI=1S/C16H19N3O3/c1-19-10-5-8-14(15(19)20)18-16(21)17-9-11-22-12-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H2,17,18,21)
InChIKeyUJCQQXNBIUZPNO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.72
Rot. Bonds6

About 1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea

1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea (PubChem CID 71982676) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea
PubChem CID71982676
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea
SMILESCn1cccc(NC(=O)NCCOCc2ccccc2)c1=O
InChIInChI=1S/C16H19N3O3/c1-19-10-5-8-14(15(19)20)18-16(21)17-9-11-22-12-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H2,17,18,21)
InChIKeyUJCQQXNBIUZPNO-UHFFFAOYSA-N
XLogP1.72
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea?
The IUPAC name of 1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea (CID 71982676) is 1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea.
What is the SMILES notation for 1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea?
The canonical SMILES for 1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea is Cn1cccc(NC(=O)NCCOCc2ccccc2)c1=O.
What is the InChIKey of 1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea?
The InChIKey is UJCQQXNBIUZPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-19-10-5-8-14(15(19)20)18-16(21)17-9-11-22-12-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea?
1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea has a molecular weight of 301.35 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3-pyridinyl)-3-(2-phenylmethoxyethyl)urea is sourced from PubChem (CID 71982676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).