1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea

C14H14BrN3O3 — CID 108868113

IUPAC1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C14H14BrN3O3/c1-20-10-4-3-5-11(21-2)13(10)18-14(19)17-12-8-9(15)6-7-16-12/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyMRIRWCQNUJFAOA-UHFFFAOYSA-N
MW352.19 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea

1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea (PubChem CID 108868113) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea
PubChem CID108868113
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea
SMILESCOc1cccc(OC)c1NC(=O)Nc1cc(Br)ccn1
InChIInChI=1S/C14H14BrN3O3/c1-20-10-4-3-5-11(21-2)13(10)18-14(19)17-12-8-9(15)6-7-16-12/h3-8H,1-2H3,(H2,16,17,18,19)
InChIKeyMRIRWCQNUJFAOA-UHFFFAOYSA-N
XLogP3.51
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-pyridinyl)-3-(2-methoxyphenyl)urea
CID 108866585
1-(4-bromo-2-pyridinyl)-3-(3,4-dimethoxyphenyl)urea
CID 108866306
N-[3-[(4-bromo-2-pyridinyl)carbamoylamino]phenyl]acetamide
CID 108884266
N-(4-bromo-2-pyridinyl)-3,4-dimethoxybenzamide
CID 102674424
N-(4-bromo-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 127109293
1-(4-bromo-2-pyridinyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877451
1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898437
1-(4-bromo-2-pyridinyl)-3-(furan-2-yl)urea
CID 108868659
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
1-(4-bromo-2-pyridinyl)-3-propylurea
CID 102820656
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea?
The IUPAC name of 1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea (CID 108868113) is 1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea is COc1cccc(OC)c1NC(=O)Nc1cc(Br)ccn1.
What is the InChIKey of 1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea?
The InChIKey is MRIRWCQNUJFAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-20-10-4-3-5-11(21-2)13(10)18-14(19)17-12-8-9(15)6-7-16-12/h3-8H,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea?
1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea has a molecular weight of 352.19 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridinyl)-3-(2,6-dimethoxyphenyl)urea is sourced from PubChem (CID 108868113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).