1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea

C17H13ClN4O2 — CID 2800176

IUPAC1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C17H13ClN4O2/c18-12-3-5-13(6-4-12)21-17(23)22-14-7-8-16(20-10-14)24-15-2-1-9-19-11-15/h1-11H,(H2,21,22,23)
InChIKeyUCFUIDAZEIFLQV-UHFFFAOYSA-N
MW340.77 g/mol
LogP4.57
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea

1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea (PubChem CID 2800176) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
PubChem CID2800176
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC Name1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C17H13ClN4O2/c18-12-3-5-13(6-4-12)21-17(23)22-14-7-8-16(20-10-14)24-15-2-1-9-19-11-15/h1-11H,(H2,21,22,23)
InChIKeyUCFUIDAZEIFLQV-UHFFFAOYSA-N
XLogP4.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-40355003
CID 46863664
1-(2-(2-Chlorophenoxy)pyridin-3-yl)piperazine
CID 46230818
1-(3,4-Dichlorophenyl)-3-[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]imidazolidin-2-one
CID 10151289
1-(4-Chlorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 68528291
1-(3,4-Dichlorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 68531201
1-(3-Chlorophenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 68534894
1-[3-[(6-Amino-3-pyridinyl)oxy]phenyl]-3-(3-chlorophenyl)urea
CID 168272225
1-[3-[(6-Amino-3-pyridinyl)oxy]phenyl]-3-(3-chloro-4-fluorophenyl)urea
CID 168277644
1-[4-[(6-Amino-3-pyridinyl)oxy]phenyl]-3-(3-chlorophenyl)urea
CID 168281688
1-[3-[(6-Amino-3-pyridinyl)oxy]phenyl]-3-(3,4-dichlorophenyl)urea
CID 168293628
N-phenyl-N'-[6-(3-pyridyloxy)-3-pyridyl]urea
CID 2800175
Pyridoimidazolone, 5c
CID 42626130

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea (CID 2800176) is 1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2cccnc2)nc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The InChIKey is UCFUIDAZEIFLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c18-12-3-5-13(6-4-12)21-17(23)22-14-7-8-16(20-10-14)24-15-2-1-9-19-11-15/h1-11H,(H2,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea has a molecular weight of 340.77 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(6-pyridin-3-yloxy-3-pyridinyl)urea is sourced from PubChem (CID 2800176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).