1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea

C12H16BrN3O3 — CID 52910218

IUPAC1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
SMILESC=C(Br)CNC(=O)Nc1ccc(OCCOC)nc1
InChIInChI=1S/C12H16BrN3O3/c1-9(13)7-15-12(17)16-10-3-4-11(14-8-10)19-6-5-18-2/h3-4,8H,1,5-7H2,2H3,(H2,15,16,17)
InChIKeyZGPFDONYRFGUDT-UHFFFAOYSA-N
MW330.18 g/mol
LogP2.14
Rot. Bonds7

About 1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea

1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea (PubChem CID 52910218) has the molecular formula C12H16BrN3O3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
PubChem CID52910218
Molecular FormulaC12H16BrN3O3
Molecular Weight330.18 g/mol
Exact Mass329.04
IUPAC Name1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea
SMILESC=C(Br)CNC(=O)Nc1ccc(OCCOC)nc1
InChIInChI=1S/C12H16BrN3O3/c1-9(13)7-15-12(17)16-10-3-4-11(14-8-10)19-6-5-18-2/h3-4,8H,1,5-7H2,2H3,(H2,15,16,17)
InChIKeyZGPFDONYRFGUDT-UHFFFAOYSA-N
XLogP2.14
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
2-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569275
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2S)-2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 95045418
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[[(2S,4S)-2-methyloxan-4-yl]methyl]urea
CID 97255262
1-[6-(2-methoxyethoxy)-3-pyridinyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 55743443
N-(2-bromoprop-2-enyl)-6-methoxypyridin-3-amine
CID 60873566
ethyl 2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetate
CID 43385059
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 112733407
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
The IUPAC name of 1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea (CID 52910218) is 1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea is C=C(Br)CNC(=O)Nc1ccc(OCCOC)nc1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
The InChIKey is ZGPFDONYRFGUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3/c1-9(13)7-15-12(17)16-10-3-4-11(14-8-10)19-6-5-18-2/h3-4,8H,1,5-7H2,2H3,(H2,15,16,17).
What are the key properties of 1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea?
1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea has a molecular weight of 330.18 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]urea is sourced from PubChem (CID 52910218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).