1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea

C13H12ClN3O2 — CID 86001834

IUPAC1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccnc(Cl)c2)c1
InChIInChI=1S/C13H12ClN3O2/c1-19-11-4-2-3-9(7-11)16-13(18)17-10-5-6-15-12(14)8-10/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyJEDSDGCQNYRUAI-UHFFFAOYSA-N
MW277.71 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea

1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea (PubChem CID 86001834) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
PubChem CID86001834
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2ccnc(Cl)c2)c1
InChIInChI=1S/C13H12ClN3O2/c1-19-11-4-2-3-9(7-11)16-13(18)17-10-5-6-15-12(14)8-10/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyJEDSDGCQNYRUAI-UHFFFAOYSA-N
XLogP3.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
methyl 4-[(2-chloro-4-pyridinyl)carbamoylamino]pyridine-2-carboxylate
CID 168979744
1-(5-chloro-3-pyridinyl)-3-(3-methoxyphenyl)urea
CID 35290961
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(furan-2-yl)-3-(3-methoxyphenyl)urea
CID 108868447
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 103480109
4-amino-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 55041968
4-N-(3-chlorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092816
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea (CID 86001834) is 1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2ccnc(Cl)c2)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea?
The InChIKey is JEDSDGCQNYRUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-19-11-4-2-3-9(7-11)16-13(18)17-10-5-6-15-12(14)8-10/h2-8H,1H3,(H2,15,16,17,18).
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea?
1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea has a molecular weight of 277.71 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 86001834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).