1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea

C17H21N3O — CID 108884929

IUPAC1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C17H21N3O/c1-12-5-10-15(18-11-12)20-16(21)19-14-8-6-13(7-9-14)17(2,3)4/h5-11H,1-4H3,(H2,18,19,20,21)
InChIKeyYLIGWNSJVUHTLZ-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.33
Rot. Bonds2

About 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea

1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea (PubChem CID 108884929) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
PubChem CID108884929
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C17H21N3O/c1-12-5-10-15(18-11-12)20-16(21)19-14-8-6-13(7-9-14)17(2,3)4/h5-11H,1-4H3,(H2,18,19,20,21)
InChIKeyYLIGWNSJVUHTLZ-UHFFFAOYSA-N
XLogP4.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 108884892
1-(3,5-dihydroxyphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108895651
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 71260039
1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
CID 108886074
1-(4-tert-butylphenyl)-3-(4-chloro-2-pyridinyl)urea
CID 108884932
1-(5-iodo-2-pyridinyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 1471569
4-(ethylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 62172642
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620496
1-(5-methyl-2-pyridinyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108915269
1-[3-(1-hydroxyethyl)phenyl]-3-(5-methyl-2-pyridinyl)urea
CID 61346275

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea (CID 108884929) is 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is YLIGWNSJVUHTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-5-10-15(18-11-12)20-16(21)19-14-8-6-13(7-9-14)17(2,3)4/h5-11H,1-4H3,(H2,18,19,20,21).
What are the key properties of 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea?
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 283.38 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108884929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).