1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea

C18H20N6O2 — CID 23646828

IUPAC1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea
SMILESCOc1cc(CN2CCCC2)ccc1NC(=O)Nc1cnc(C#N)cn1
InChIInChI=1S/C18H20N6O2/c1-26-16-8-13(12-24-6-2-3-7-24)4-5-15(16)22-18(25)23-17-11-20-14(9-19)10-21-17/h4-5,8,10-11H,2-3,6-7,12H2,1H3,(H2,21,22,23,25)
InChIKeyLMRAKNQIWRVVMJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.60
Rot. Bonds5

About 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea

1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea (PubChem CID 23646828) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea
PubChem CID23646828
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea
SMILESCOc1cc(CN2CCCC2)ccc1NC(=O)Nc1cnc(C#N)cn1
InChIInChI=1S/C18H20N6O2/c1-26-16-8-13(12-24-6-2-3-7-24)4-5-15(16)22-18(25)23-17-11-20-14(9-19)10-21-17/h4-5,8,10-11H,2-3,6-7,12H2,1H3,(H2,21,22,23,25)
InChIKeyLMRAKNQIWRVVMJ-UHFFFAOYSA-N
XLogP2.60
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea (CID 23646828) is 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea is COc1cc(CN2CCCC2)ccc1NC(=O)Nc1cnc(C#N)cn1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea?
The InChIKey is LMRAKNQIWRVVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-26-16-8-13(12-24-6-2-3-7-24)4-5-15(16)22-18(25)23-17-11-20-14(9-19)10-21-17/h4-5,8,10-11H,2-3,6-7,12H2,1H3,(H2,21,22,23,25).
What are the key properties of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea?
1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea has a molecular weight of 352.40 g/mol, XLogP of 2.60, 5 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-[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 23646828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).