1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea

C21H29N3O3 — CID 167456812

IUPAC1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OC(C)C)n1
InChIInChI=1S/C21H29N3O3/c1-13(2)16-9-7-8-10-17(16)22-21(25)23-18-11-12-19(26-14(3)4)24-20(18)27-15(5)6/h7-15H,1-6H3,(H2,22,23,25)
InChIKeyDEVHRFATFZIYRM-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.42
Rot. Bonds7

About 1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea

1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 167456812) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID167456812
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OC(C)C)n1
InChIInChI=1S/C21H29N3O3/c1-13(2)16-9-7-8-10-17(16)22-21(25)23-18-11-12-19(26-14(3)4)24-20(18)27-15(5)6/h7-15H,1-6H3,(H2,22,23,25)
InChIKeyDEVHRFATFZIYRM-UHFFFAOYSA-N
XLogP5.42
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457260
cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457259
1-[2-(2-fluoroethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea;pentane
CID 167456640
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
(2R)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636193
(2S)-2-(2-propan-2-ylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 28636194
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
(2S)-3-methyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 28508833
6-propan-2-yloxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
CID 43261404

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea (CID 167456812) is 1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea is CC(C)Oc1ccc(NC(=O)Nc2ccccc2C(C)C)c(OC(C)C)n1.
What is the InChIKey of 1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is DEVHRFATFZIYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13(2)16-9-7-8-10-17(16)22-21(25)23-18-11-12-19(26-14(3)4)24-20(18)27-15(5)6/h7-15H,1-6H3,(H2,22,23,25).
What are the key properties of 1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea?
1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 371.48 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yloxy)-3-pyridinyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 167456812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).