1-(4-ethylphenyl)-3-pyridin-2-ylurea

C14H15N3O — CID 6469550

IUPAC1-(4-ethylphenyl)-3-pyridin-2-ylurea
SMILESCCc1ccc(NC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H15N3O/c1-2-11-6-8-12(9-7-11)16-14(18)17-13-5-3-4-10-15-13/h3-10H,2H2,1H3,(H2,15,16,17,18)
InChIKeyBDCOTEDOMLGKIF-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.29
Rot. Bonds3

About 1-(4-ethylphenyl)-3-pyridin-2-ylurea

1-(4-ethylphenyl)-3-pyridin-2-ylurea (PubChem CID 6469550) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-pyridin-2-ylurea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-pyridin-2-ylurea
PubChem CID6469550
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(4-ethylphenyl)-3-pyridin-2-ylurea
SMILESCCc1ccc(NC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C14H15N3O/c1-2-11-6-8-12(9-7-11)16-14(18)17-13-5-3-4-10-15-13/h3-10H,2H2,1H3,(H2,15,16,17,18)
InChIKeyBDCOTEDOMLGKIF-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
1-(4-ethyl-2-methoxyphenyl)-3-pyridin-2-ylurea
CID 18682310
1-(4-cyanophenyl)-3-pyridin-2-ylurea
CID 108894633
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
1-(4-ethylphenyl)-3-[2-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]urea
CID 122314995
N-[4-(pyridin-2-ylcarbamoylamino)phenyl]sulfonylacetamide
CID 110492034
1-(4-ethylphenyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812645
1-(3-ethyl-1,2-dimethylindol-5-yl)-3-pyridin-2-ylurea
CID 19016482
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1-(4-ethylphenyl)-3-methylurea
CID 54250791
1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea
CID 94818055
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-pyridin-2-ylurea?
The IUPAC name of 1-(4-ethylphenyl)-3-pyridin-2-ylurea (CID 6469550) is 1-(4-ethylphenyl)-3-pyridin-2-ylurea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-pyridin-2-ylurea?
The canonical SMILES for 1-(4-ethylphenyl)-3-pyridin-2-ylurea is CCc1ccc(NC(=O)Nc2ccccn2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-pyridin-2-ylurea?
The InChIKey is BDCOTEDOMLGKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-2-11-6-8-12(9-7-11)16-14(18)17-13-5-3-4-10-15-13/h3-10H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-(4-ethylphenyl)-3-pyridin-2-ylurea?
1-(4-ethylphenyl)-3-pyridin-2-ylurea has a molecular weight of 241.29 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-pyridin-2-ylurea is sourced from PubChem (CID 6469550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).