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

C17H21N3O — CID 108884892

IUPAC1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C17H21N3O/c1-12-9-10-18-15(11-12)20-16(21)19-14-7-5-13(6-8-14)17(2,3)4/h5-11H,1-4H3,(H2,18,19,20,21)
InChIKeyVVPJVNMUDUQNSF-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.33
Rot. Bonds2

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

1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea (PubChem CID 108884892) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
PubChem CID108884892
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
SMILESCc1ccnc(NC(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C17H21N3O/c1-12-9-10-18-15(11-12)20-16(21)19-14-7-5-13(6-8-14)17(2,3)4/h5-11H,1-4H3,(H2,18,19,20,21)
InChIKeyVVPJVNMUDUQNSF-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-chloro-2-pyridinyl)urea
CID 108884932
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862
1-(3-chloro-4-fluorophenyl)-3-(4-methyl-2-pyridinyl)urea
CID 970486
1-(4-chloro-2-pyridinyl)-3-(4-methylphenyl)urea
CID 108866515
1-(4-tert-butylphenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 52723771
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
1-(4-chlorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316239
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea (CID 108884892) is 1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea is Cc1ccnc(NC(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea?
The InChIKey is VVPJVNMUDUQNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-9-10-18-15(11-12)20-16(21)19-14-7-5-13(6-8-14)17(2,3)4/h5-11H,1-4H3,(H2,18,19,20,21).
What are the key properties of 1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea?
1-(4-tert-butylphenyl)-3-(4-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-(4-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108884892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).