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

C13H12ClN3O — CID 108866515

IUPAC1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)ccn2)cc1
InChIInChI=1S/C13H12ClN3O/c1-9-2-4-11(5-3-9)16-13(18)17-12-8-10(14)6-7-15-12/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyFXAMKHYPSYDCMW-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.69
Rot. Bonds2

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

1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea (PubChem CID 108866515) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
PubChem CID108866515
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(Cl)ccn2)cc1
InChIInChI=1S/C13H12ClN3O/c1-9-2-4-11(5-3-9)16-13(18)17-12-8-10(14)6-7-15-12/h2-8H,1H3,(H2,15,16,17,18)
InChIKeyFXAMKHYPSYDCMW-UHFFFAOYSA-N
XLogP3.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-(4-chloro-2-pyridinyl)urea
CID 108884932
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
CID 970486
1-(4-chloro-2-pyridinyl)-3-pyrazin-2-ylurea
CID 108893898
1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 108884892
N-(4-chloro-2-pyridinyl)-2-hydroxy-4-methylbenzamide
CID 115883719
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
N-(4-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 115678914
1-(4-chlorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316239
1-(6-chloro-3-pyridinyl)-3-(4-methylphenyl)urea
CID 47433187

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea (CID 108866515) is 1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(Cl)ccn2)cc1.
What is the InChIKey of 1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea?
The InChIKey is FXAMKHYPSYDCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9-2-4-11(5-3-9)16-13(18)17-12-8-10(14)6-7-15-12/h2-8H,1H3,(H2,15,16,17,18).
What are the key properties of 1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea?
1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea has a molecular weight of 261.71 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 108866515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).