1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea

C16H18ClN3O2 — CID 108884029

IUPAC1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H18ClN3O2/c1-12-5-2-3-6-14(12)22-10-4-9-18-16(21)20-15-8-7-13(17)11-19-15/h2-3,5-8,11H,4,9-10H2,1H3,(H2,18,19,20,21)
InChIKeyKPBZEEJMCOQCNF-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.63
Rot. Bonds6

About 1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea

1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108884029) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108884029
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1ccccc1OCCCNC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H18ClN3O2/c1-12-5-2-3-6-14(12)22-10-4-9-18-16(21)20-15-8-7-13(17)11-19-15/h2-3,5-8,11H,4,9-10H2,1H3,(H2,18,19,20,21)
InChIKeyKPBZEEJMCOQCNF-UHFFFAOYSA-N
XLogP3.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883302
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-[3-(2-methylphenoxy)propyl]-3-(1H-1,2,4-triazol-5-yl)urea
CID 108883916
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883971

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108884029) is 1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea is Cc1ccccc1OCCCNC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is KPBZEEJMCOQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-12-5-2-3-6-14(12)22-10-4-9-18-16(21)20-15-8-7-13(17)11-19-15/h2-3,5-8,11H,4,9-10H2,1H3,(H2,18,19,20,21).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 319.79 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108884029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).