1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea

C17H19N3O2 — CID 59666305

IUPAC1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C17H19N3O2/c21-14-5-4-13-2-1-3-16(15(13)10-14)20-17(22)19-11-12-6-8-18-9-7-12/h1-3,6-9,14,21H,4-5,10-11H2,(H2,19,20,22)
InChIKeyULGGAZGXCUPYHO-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.25
Rot. Bonds3

About 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea

1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea (PubChem CID 59666305) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
PubChem CID59666305
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea
SMILESO=C(NCc1ccncc1)Nc1cccc2c1CC(O)CC2
InChIInChI=1S/C17H19N3O2/c21-14-5-4-13-2-1-3-16(15(13)10-14)20-17(22)19-11-12-6-8-18-9-7-12/h1-3,6-9,14,21H,4-5,10-11H2,(H2,19,20,22)
InChIKeyULGGAZGXCUPYHO-UHFFFAOYSA-N
XLogP2.25
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea (CID 59666305) is 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea is O=C(NCc1ccncc1)Nc1cccc2c1CC(O)CC2.
What is the InChIKey of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea?
The InChIKey is ULGGAZGXCUPYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-14-5-4-13-2-1-3-16(15(13)10-14)20-17(22)19-11-12-6-8-18-9-7-12/h1-3,6-9,14,21H,4-5,10-11H2,(H2,19,20,22).
What are the key properties of 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea?
1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea has a molecular weight of 297.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 59666305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).