1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea

C16H13N3O2 — CID 5330595

IUPAC1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C16H13N3O2/c20-12-8-7-11-4-3-5-14(13(11)10-12)18-16(21)19-15-6-1-2-9-17-15/h1-10,20H,(H2,17,18,19,21)
InChIKeyPLKPAJOIRNQZMG-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.58
Rot. Bonds2

About 1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea

1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea (PubChem CID 5330595) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea
PubChem CID5330595
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea
SMILESO=C(Nc1ccccn1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C16H13N3O2/c20-12-8-7-11-4-3-5-14(13(11)10-12)18-16(21)19-15-6-1-2-9-17-15/h1-10,20H,(H2,17,18,19,21)
InChIKeyPLKPAJOIRNQZMG-UHFFFAOYSA-N
XLogP3.58
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea (CID 5330595) is 1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea is O=C(Nc1ccccn1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea?
The InChIKey is PLKPAJOIRNQZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-12-8-7-11-4-3-5-14(13(11)10-12)18-16(21)19-15-6-1-2-9-17-15/h1-10,20H,(H2,17,18,19,21).
What are the key properties of 1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea?
1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea has a molecular weight of 279.30 g/mol, XLogP of 3.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-hydroxynaphthalen-1-yl)-3-pyridin-2-ylurea is sourced from PubChem (CID 5330595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).