1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea

C17H21N3O2 — CID 159946386

IUPAC1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea
SMILESCOc1ccc(NC(=O)Nc2nc(C)c(C)c(C)c2C)cc1
InChIInChI=1S/C17H21N3O2/c1-10-11(2)13(4)18-16(12(10)3)20-17(21)19-14-6-8-15(22-5)9-7-14/h6-9H,1-5H3,(H2,18,19,20,21)
InChIKeyXQFWZEVJERBEBY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.97
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea

1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea (PubChem CID 159946386) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea
PubChem CID159946386
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea
SMILESCOc1ccc(NC(=O)Nc2nc(C)c(C)c(C)c2C)cc1
InChIInChI=1S/C17H21N3O2/c1-10-11(2)13(4)18-16(12(10)3)20-17(21)19-14-6-8-15(22-5)9-7-14/h6-9H,1-5H3,(H2,18,19,20,21)
InChIKeyXQFWZEVJERBEBY-UHFFFAOYSA-N
XLogP3.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 149204916
1,3-bis(4-methoxyphenyl)urea
CID 139045428
3-[(4-methoxyphenyl)carbamoylamino]pyrazine-2-carboxylic acid
CID 63260045
1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
CID 102497884
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea
CID 16659630
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 35281421
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 122356489

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea (CID 159946386) is 1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea is COc1ccc(NC(=O)Nc2nc(C)c(C)c(C)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea?
The InChIKey is XQFWZEVJERBEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-11(2)13(4)18-16(12(10)3)20-17(21)19-14-6-8-15(22-5)9-7-14/h6-9H,1-5H3,(H2,18,19,20,21).
What are the key properties of 1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea?
1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea has a molecular weight of 299.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea is sourced from PubChem (CID 159946386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).