1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea

C19H18N4O3 — CID 53118323

IUPAC1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2nccn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C19H18N4O3/c1-2-26-16-10-8-14(9-11-16)21-19(25)22-17-18(24)23(13-12-20-17)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H2,20,21,22,25)
InChIKeyJNFKBUPNEDMIQH-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.28
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea

1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea (PubChem CID 53118323) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
PubChem CID53118323
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2nccn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C19H18N4O3/c1-2-26-16-10-8-14(9-11-16)21-19(25)22-17-18(24)23(13-12-20-17)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H2,20,21,22,25)
InChIKeyJNFKBUPNEDMIQH-UHFFFAOYSA-N
XLogP3.28
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118262
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118435
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
CID 53118442
4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118437
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide
CID 53118441
1-(3,4-dimethylphenyl)-3-[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]urea
CID 53118199
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)urea;1-(4-ethoxyphenyl)-3-phenylurea
CID 69341761
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-(3,5-dimethoxyphenyl)-3-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118349
N-(4-ethoxyphenyl)-2-[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]-2-oxoacetamide
CID 98131505
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea (CID 53118323) is 1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea is CCOc1ccc(NC(=O)Nc2nccn(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
The InChIKey is JNFKBUPNEDMIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-26-16-10-8-14(9-11-16)21-19(25)22-17-18(24)23(13-12-20-17)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H2,20,21,22,25).
What are the key properties of 1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea?
1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea has a molecular weight of 350.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea is sourced from PubChem (CID 53118323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).