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

C19H22N6O2 — CID 23646825

IUPAC1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea
SMILESCOc1cc(CN2CCCCC2)ccc1NC(=O)Nc1cnc(C#N)cn1
InChIInChI=1S/C19H22N6O2/c1-27-17-9-14(13-25-7-3-2-4-8-25)5-6-16(17)23-19(26)24-18-12-21-15(10-20)11-22-18/h5-6,9,11-12H,2-4,7-8,13H2,1H3,(H2,22,23,24,26)
InChIKeyLGVKFJFYXUDITJ-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.99
Rot. Bonds5

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

1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea (PubChem CID 23646825) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea
PubChem CID23646825
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea
SMILESCOc1cc(CN2CCCCC2)ccc1NC(=O)Nc1cnc(C#N)cn1
InChIInChI=1S/C19H22N6O2/c1-27-17-9-14(13-25-7-3-2-4-8-25)5-6-16(17)23-19(26)24-18-12-21-15(10-20)11-22-18/h5-6,9,11-12H,2-4,7-8,13H2,1H3,(H2,22,23,24,26)
InChIKeyLGVKFJFYXUDITJ-UHFFFAOYSA-N
XLogP2.99
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.99
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-(piperidin-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea (CID 23646825) is 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea is COc1cc(CN2CCCCC2)ccc1NC(=O)Nc1cnc(C#N)cn1.
What is the InChIKey of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea?
The InChIKey is LGVKFJFYXUDITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-17-9-14(13-25-7-3-2-4-8-25)5-6-16(17)23-19(26)24-18-12-21-15(10-20)11-22-18/h5-6,9,11-12H,2-4,7-8,13H2,1H3,(H2,22,23,24,26).
What are the key properties of 1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea?
1-(5-cyanopyrazin-2-yl)-3-[2-methoxy-4-(piperidin-1-ylmethyl)phenyl]urea has a molecular weight of 366.43 g/mol, XLogP of 2.99, 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-(piperidin-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 23646825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).