1-ethyl-3-pyridin-4-ylurea

C8H11N3O — CID 3449428

IUPAC1-ethyl-3-pyridin-4-ylurea
SMILESCCNC(=O)Nc1ccncc1
InChIInChI=1S/C8H11N3O/c1-2-10-8(12)11-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H2,9,10,11,12)
InChIKeyZJNFYBITQPOYSY-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.22
Rot. Bonds2

About 1-ethyl-3-pyridin-4-ylurea

1-ethyl-3-pyridin-4-ylurea (PubChem CID 3449428) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-ethyl-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-ethyl-3-pyridin-4-ylurea
PubChem CID3449428
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-ethyl-3-pyridin-4-ylurea
SMILESCCNC(=O)Nc1ccncc1
InChIInChI=1S/C8H11N3O/c1-2-10-8(12)11-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H2,9,10,11,12)
InChIKeyZJNFYBITQPOYSY-UHFFFAOYSA-N
XLogP1.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pyridin-4-ylurea?
The IUPAC name of 1-ethyl-3-pyridin-4-ylurea (CID 3449428) is 1-ethyl-3-pyridin-4-ylurea.
What is the SMILES notation for 1-ethyl-3-pyridin-4-ylurea?
The canonical SMILES for 1-ethyl-3-pyridin-4-ylurea is CCNC(=O)Nc1ccncc1.
What is the InChIKey of 1-ethyl-3-pyridin-4-ylurea?
The InChIKey is ZJNFYBITQPOYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-10-8(12)11-7-3-5-9-6-4-7/h3-6H,2H2,1H3,(H2,9,10,11,12).
What are the key properties of 1-ethyl-3-pyridin-4-ylurea?
1-ethyl-3-pyridin-4-ylurea has a molecular weight of 165.20 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pyridin-4-ylurea is sourced from PubChem (CID 3449428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).