1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea

C13H18BrN3O2 — CID 164631272

IUPAC1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea
SMILESCC[C@H]1OCC[C@@H]1NC(=O)Nc1cc(Br)cnc1C
InChIInChI=1S/C13H18BrN3O2/c1-3-12-10(4-5-19-12)16-13(18)17-11-6-9(14)7-15-8(11)2/h6-7,10,12H,3-5H2,1-2H3,(H2,16,17,18)/t10-,12+/m0/s1
InChIKeyQOSQFNNXBWUPIF-CMPLNLGQSA-N
MW328.21 g/mol
LogP2.84
Rot. Bonds3

About 1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea

1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea (PubChem CID 164631272) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea.

Molecular Properties

Compound Name1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea
PubChem CID164631272
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea
SMILESCC[C@H]1OCC[C@@H]1NC(=O)Nc1cc(Br)cnc1C
InChIInChI=1S/C13H18BrN3O2/c1-3-12-10(4-5-19-12)16-13(18)17-11-6-9(14)7-15-8(11)2/h6-7,10,12H,3-5H2,1-2H3,(H2,16,17,18)/t10-,12+/m0/s1
InChIKeyQOSQFNNXBWUPIF-CMPLNLGQSA-N
XLogP2.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(5-bromo-2-methyl-3-pyridinyl)carbamate
CID 160632278
5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114106055
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea
CID 167864411
3-bromo-N-[(2S,3R)-2-ethyloxolan-3-yl]-5-methylbenzenesulfonamide
CID 128776482
N-(5-bromo-2-chloro-3-pyridinyl)-2-methyloxolane-3-carboxamide
CID 102979215
3-amino-N-(2,5-dimethyl-3-pyridinyl)-2-(oxan-4-yl)propanamide
CID 154768257
[(3R)-2-[(2,6-dimethyl-4-pyridinyl)methyl]oxolan-3-yl]carbamic acid;hydrochloride
CID 66997264
1-(2-cyclopropyloxolan-3-yl)-3-(5-methoxypyrimidin-2-yl)urea
CID 128625225
5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide
CID 136586511
3-[(2-ethyloxolane-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 114105241
ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate
CID 67086431
N-(5-bromo-2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 102979329

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea?
The IUPAC name of 1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea (CID 164631272) is 1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea.
What is the SMILES notation for 1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea?
The canonical SMILES for 1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea is CC[C@H]1OCC[C@@H]1NC(=O)Nc1cc(Br)cnc1C.
What is the InChIKey of 1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea?
The InChIKey is QOSQFNNXBWUPIF-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-3-12-10(4-5-19-12)16-13(18)17-11-6-9(14)7-15-8(11)2/h6-7,10,12H,3-5H2,1-2H3,(H2,16,17,18)/t10-,12+/m0/s1.
What are the key properties of 1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea?
1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea has a molecular weight of 328.21 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methyl-3-pyridinyl)-3-[(2R,3S)-2-ethyloxolan-3-yl]urea is sourced from PubChem (CID 164631272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).