1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea

C17H21N3O3 — CID 167457260

IUPAC1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OC)n1
InChIInChI=1S/C17H21N3O3/c1-11(2)12-7-5-6-8-13(12)18-17(21)19-14-9-10-15(22-3)20-16(14)23-4/h5-11H,1-4H3,(H2,18,19,21)
InChIKeyWDIJYNWILOBBAQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.87
Rot. Bonds5

About 1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea

1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea (PubChem CID 167457260) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
PubChem CID167457260
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OC)n1
InChIInChI=1S/C17H21N3O3/c1-11(2)12-7-5-6-8-13(12)18-17(21)19-14-9-10-15(22-3)20-16(14)23-4/h5-11H,1-4H3,(H2,18,19,21)
InChIKeyWDIJYNWILOBBAQ-UHFFFAOYSA-N
XLogP3.87
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457259
1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea
CID 167456812
1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane
CID 167456640
3-[(2,6-dimethoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylic acid
CID 175090918
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 167456140
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
tert-butyl 3-[(2,6-dimethoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylate
CID 146265796
1-(2,6-dimethoxy-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2741388
N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide
CID 138105998
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea (CID 167457260) is 1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea is COc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OC)n1.
What is the InChIKey of 1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The InChIKey is WDIJYNWILOBBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)12-7-5-6-8-13(12)18-17(21)19-14-9-10-15(22-3)20-16(14)23-4/h5-11H,1-4H3,(H2,18,19,21).
What are the key properties of 1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea has a molecular weight of 315.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 167457260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).