1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea

C14H11N5O3 — CID 23646824

IUPAC1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea
SMILESCOc1cc(C=O)ccc1NC(=O)Nc1cnc(C#N)cn1
InChIInChI=1S/C14H11N5O3/c1-22-12-4-9(8-20)2-3-11(12)18-14(21)19-13-7-16-10(5-15)6-17-13/h2-4,6-8H,1H3,(H2,17,18,19,21)
InChIKeyCDGIKPAPLWNDJU-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.81
Rot. Bonds4

About 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea

1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea (PubChem CID 23646824) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea
PubChem CID23646824
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Name1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea
SMILESCOc1cc(C=O)ccc1NC(=O)Nc1cnc(C#N)cn1
InChIInChI=1S/C14H11N5O3/c1-22-12-4-9(8-20)2-3-11(12)18-14(21)19-13-7-16-10(5-15)6-17-13/h2-4,6-8H,1H3,(H2,17,18,19,21)
InChIKeyCDGIKPAPLWNDJU-UHFFFAOYSA-N
XLogP1.81
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea (CID 23646824) is 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea is COc1cc(C=O)ccc1NC(=O)Nc1cnc(C#N)cn1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea?
The InChIKey is CDGIKPAPLWNDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c1-22-12-4-9(8-20)2-3-11(12)18-14(21)19-13-7-16-10(5-15)6-17-13/h2-4,6-8H,1H3,(H2,17,18,19,21).
What are the key properties of 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea?
1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea has a molecular weight of 297.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanopyrazin-2-yl)-3-(4-formyl-2-methoxyphenyl)urea is sourced from PubChem (CID 23646824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).