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

C12H19N3O3 — CID 111754915

IUPAC1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCCC(C)(CO)NC(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-12(2,8-16)14-11(18)13-9-6-5-7-15(3)10(9)17/h5-7,16H,4,8H2,1-3H3,(H2,13,14,18)
InChIKeyGSXBELVGAXUTLW-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.67
Rot. Bonds4

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

1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 111754915) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID111754915
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCCC(C)(CO)NC(=O)Nc1cccn(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-12(2,8-16)14-11(18)13-9-6-5-7-15(3)10(9)17/h5-7,16H,4,8H2,1-3H3,(H2,13,14,18)
InChIKeyGSXBELVGAXUTLW-UHFFFAOYSA-N
XLogP0.67
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxy-2-methylpentan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111754914
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111630126
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-[(2-methylpropan-2-yl)oxy]phenyl]urea
CID 111926481
2-amino-N-(1-methyl-2-oxo-3-pyridinyl)acetamide
CID 130637050
1-(4-tert-butylphenyl)-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 71924647
1-(1-hydroxy-2-methylbutan-2-yl)-3-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]urea
CID 111926599
2-amino-3-methyl-N-(1-methyl-2-oxo-3-pyridinyl)pentanamide
CID 119782695
1-(1-hydroxy-2-methylpentan-2-yl)-3-(2-methylphenyl)urea
CID 111754129
1-methyl-N-(3-methylpentan-3-yl)pyrrole-2-carboxamide
CID 143504652
1-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782891
1-(2-tert-butylphenyl)-3-[(2R)-1-hydroxy-2-methylpentan-2-yl]urea
CID 95972895
1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111925893

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 111754915) is 1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea is CCC(C)(CO)NC(=O)Nc1cccn(C)c1=O.
What is the InChIKey of 1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is GSXBELVGAXUTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-12(2,8-16)14-11(18)13-9-6-5-7-15(3)10(9)17/h5-7,16H,4,8H2,1-3H3,(H2,13,14,18).
What are the key properties of 1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 253.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylbutan-2-yl)-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 111754915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).