1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea

C12H16BrN3O3 — CID 95974856

IUPAC1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCn1cc(Br)cc(NC(=O)NC[C@H]2CCCO2)c1=O
InChIInChI=1S/C12H16BrN3O3/c1-16-7-8(13)5-10(11(16)17)15-12(18)14-6-9-3-2-4-19-9/h5,7,9H,2-4,6H2,1H3,(H2,14,15,18)/t9-/m1/s1
InChIKeyHTPPGLBGWVPZIT-SECBINFHSA-N
MW330.18 g/mol
LogP1.45
Rot. Bonds3

About 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea

1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 95974856) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID95974856
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCn1cc(Br)cc(NC(=O)NC[C@H]2CCCO2)c1=O
InChIInChI=1S/C12H16BrN3O3/c1-16-7-8(13)5-10(11(16)17)15-12(18)14-6-9-3-2-4-19-9/h5,7,9H,2-4,6H2,1H3,(H2,14,15,18)/t9-/m1/s1
InChIKeyHTPPGLBGWVPZIT-SECBINFHSA-N
XLogP1.45
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 47194342
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea
CID 146091310
2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97075379
2-[(4-bromo-1-methylpyrrol-2-yl)methyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97075380
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(oxolan-2-ylmethyl)urea
CID 50791985
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
CID 108813280
1-(2-methylsulfanylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 92967958
4,5-difluoro-2-(oxolan-2-ylmethylcarbamoylamino)benzoic acid
CID 62866631
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea (CID 95974856) is 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea is Cn1cc(Br)cc(NC(=O)NC[C@H]2CCCO2)c1=O.
What is the InChIKey of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is HTPPGLBGWVPZIT-SECBINFHSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-16-7-8(13)5-10(11(16)17)15-12(18)14-6-9-3-2-4-19-9/h5,7,9H,2-4,6H2,1H3,(H2,14,15,18)/t9-/m1/s1.
What are the key properties of 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea?
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 330.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 95974856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).