1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea

C16H17ClN4O2 — CID 53250590

IUPAC1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)Nc1ccc(Cl)nc1
InChIInChI=1S/C16H17ClN4O2/c17-15-6-5-13(9-19-15)21-16(22)20-12-3-1-11(2-4-12)14-10-18-7-8-23-14/h1-6,9,14,18H,7-8,10H2,(H2,20,21,22)
InChIKeyNBLQOLCNAGXPRY-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.04
Rot. Bonds3

About 1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea

1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea (PubChem CID 53250590) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea
PubChem CID53250590
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)Nc1ccc(Cl)nc1
InChIInChI=1S/C16H17ClN4O2/c17-15-6-5-13(9-19-15)21-16(22)20-12-3-1-11(2-4-12)14-10-18-7-8-23-14/h1-6,9,14,18H,7-8,10H2,(H2,20,21,22)
InChIKeyNBLQOLCNAGXPRY-UHFFFAOYSA-N
XLogP3.04
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea (CID 53250590) is 1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea is O=C(Nc1ccc(C2CNCCO2)cc1)Nc1ccc(Cl)nc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea?
The InChIKey is NBLQOLCNAGXPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-15-6-5-13(9-19-15)21-16(22)20-12-3-1-11(2-4-12)14-10-18-7-8-23-14/h1-6,9,14,18H,7-8,10H2,(H2,20,21,22).
What are the key properties of 1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea?
1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea has a molecular weight of 332.79 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-3-(4-morpholin-2-ylphenyl)urea is sourced from PubChem (CID 53250590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).