1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

C21H21N3O — CID 67053153

IUPAC1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCCc1ccccc1NC(=O)Nc1ccc(-c2ccnc(C)c2)cc1
InChIInChI=1S/C21H21N3O/c1-3-16-6-4-5-7-20(16)24-21(25)23-19-10-8-17(9-11-19)18-12-13-22-15(2)14-18/h4-14H,3H2,1-2H3,(H2,23,24,25)
InChIKeyLEIUUEFQGMIAQB-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.26
Rot. Bonds4

About 1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea

1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (PubChem CID 67053153) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
PubChem CID67053153
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
SMILESCCc1ccccc1NC(=O)Nc1ccc(-c2ccnc(C)c2)cc1
InChIInChI=1S/C21H21N3O/c1-3-16-6-4-5-7-20(16)24-21(25)23-19-10-8-17(9-11-19)18-12-13-22-15(2)14-18/h4-14H,3H2,1-2H3,(H2,23,24,25)
InChIKeyLEIUUEFQGMIAQB-UHFFFAOYSA-N
XLogP5.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053045
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053113
1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 58335435
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 67308184
1-[2-fluoro-2-(2-methylphenyl)propyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053109
4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518
2-(1-benzothiophen-3-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309295
1-[2-(2-fluorophenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053168
2-(2,3-dimethoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 67309182

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea (CID 67053153) is 1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is CCc1ccccc1NC(=O)Nc1ccc(-c2ccnc(C)c2)cc1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
The InChIKey is LEIUUEFQGMIAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-3-16-6-4-5-7-20(16)24-21(25)23-19-10-8-17(9-11-19)18-12-13-22-15(2)14-18/h4-14H,3H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea?
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea has a molecular weight of 331.42 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea is sourced from PubChem (CID 67053153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).