1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea

C13H13ClN4O2 — CID 71918765

IUPAC1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea
SMILESO=C(NCCOc1ccc(Cl)cn1)Nc1ccccn1
InChIInChI=1S/C13H13ClN4O2/c14-10-4-5-12(17-9-10)20-8-7-16-13(19)18-11-3-1-2-6-15-11/h1-6,9H,7-8H2,(H2,15,16,18,19)
InChIKeyNTPUSLFMTAQDSS-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.33
Rot. Bonds5

About 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea

1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea (PubChem CID 71918765) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea
PubChem CID71918765
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea
SMILESO=C(NCCOc1ccc(Cl)cn1)Nc1ccccn1
InChIInChI=1S/C13H13ClN4O2/c14-10-4-5-12(17-9-10)20-8-7-16-13(19)18-11-3-1-2-6-15-11/h1-6,9H,7-8H2,(H2,15,16,18,19)
InChIKeyNTPUSLFMTAQDSS-UHFFFAOYSA-N
XLogP2.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea (CID 71918765) is 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea is O=C(NCCOc1ccc(Cl)cn1)Nc1ccccn1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea?
The InChIKey is NTPUSLFMTAQDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-10-4-5-12(17-9-10)20-8-7-16-13(19)18-11-3-1-2-6-15-11/h1-6,9H,7-8H2,(H2,15,16,18,19).
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea?
1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea has a molecular weight of 292.73 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea is sourced from PubChem (CID 71918765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).