1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea

C16H15ClN6O — CID 45270354

IUPAC1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea
SMILESN#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2N2CCCC2)cn1
InChIInChI=1S/C16H15ClN6O/c17-11-3-4-14(23-5-1-2-6-23)13(7-11)21-16(24)22-15-10-19-12(8-18)9-20-15/h3-4,7,9-10H,1-2,5-6H2,(H2,20,21,22,24)
InChIKeyOBMVEORXOLGZKX-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.25
Rot. Bonds3

About 1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea

1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea (PubChem CID 45270354) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea
PubChem CID45270354
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea
SMILESN#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2N2CCCC2)cn1
InChIInChI=1S/C16H15ClN6O/c17-11-3-4-14(23-5-1-2-6-23)13(7-11)21-16(24)22-15-10-19-12(8-18)9-20-15/h3-4,7,9-10H,1-2,5-6H2,(H2,20,21,22,24)
InChIKeyOBMVEORXOLGZKX-UHFFFAOYSA-N
XLogP3.25
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea?
The IUPAC name of 1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea (CID 45270354) is 1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea?
The canonical SMILES for 1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea is N#Cc1cnc(NC(=O)Nc2cc(Cl)ccc2N2CCCC2)cn1.
What is the InChIKey of 1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea?
The InChIKey is OBMVEORXOLGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c17-11-3-4-14(23-5-1-2-6-23)13(7-11)21-16(24)22-15-10-19-12(8-18)9-20-15/h3-4,7,9-10H,1-2,5-6H2,(H2,20,21,22,24).
What are the key properties of 1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea?
1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea has a molecular weight of 342.79 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-(5-cyanopyrazin-2-yl)urea is sourced from PubChem (CID 45270354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).