1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea

C13H21N3O3 — CID 111754914

IUPAC1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCCCC(C)(CO)NC(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C13H21N3O3/c1-4-7-13(2,9-17)15-12(19)14-10-6-5-8-16(3)11(10)18/h5-6,8,17H,4,7,9H2,1-3H3,(H2,14,15,19)
InChIKeyUVOCHDRHCASVEY-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.06
Rot. Bonds5

About 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea

1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 111754914) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID111754914
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCCCC(C)(CO)NC(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C13H21N3O3/c1-4-7-13(2,9-17)15-12(19)14-10-6-5-8-16(3)11(10)18/h5-6,8,17H,4,7,9H2,1-3H3,(H2,14,15,19)
InChIKeyUVOCHDRHCASVEY-UHFFFAOYSA-N
XLogP1.06
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111754915
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129
1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
CID 95972895
1-(2,3-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111926195
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-pyrrolidin-1-ylphenyl)urea
CID 111754474
1-(2,4-difluorophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111430082
1-(4-fluoro-2-methylphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754450
1-(4-bromophenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754119
1-(1-hydroxy-2-methylpentan-2-yl)-3-naphthalen-2-ylurea
CID 111925797
2-amino-N-(1-methyl-2-oxo-3-pyridinyl)acetamide
CID 130637050
1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 97317767
1-(2-chloro-4-methoxyphenyl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754789

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 111754914) is 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea is CCCC(C)(CO)NC(=O)Nc1cccn(C)c1=O.
What is the InChIKey of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is UVOCHDRHCASVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-7-13(2,9-17)15-12(19)14-10-6-5-8-16(3)11(10)18/h5-6,8,17H,4,7,9H2,1-3H3,(H2,14,15,19).
What are the key properties of 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 267.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 111754914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).