1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea

C14H14BrN3O2 — CID 108898437

IUPAC1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2cc(Br)ccn2)c1
InChIInChI=1S/C14H14BrN3O2/c1-20-12-4-2-3-10(7-12)9-17-14(19)18-13-8-11(15)5-6-16-13/h2-8H,9H2,1H3,(H2,16,17,18,19)
InChIKeyUWQODHCKLLANMH-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea

1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea (PubChem CID 108898437) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
PubChem CID108898437
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea
SMILESCOc1cccc(CNC(=O)Nc2cc(Br)ccn2)c1
InChIInChI=1S/C14H14BrN3O2/c1-20-12-4-2-3-10(7-12)9-17-14(19)18-13-8-11(15)5-6-16-13/h2-8H,9H2,1H3,(H2,16,17,18,19)
InChIKeyUWQODHCKLLANMH-UHFFFAOYSA-N
XLogP3.17
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-chlorophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 52594310
1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887175
1-[(3-methylphenyl)methyl]-3-(4-methyl-2-pyridinyl)urea
CID 108898245
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
CID 47248692
1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812811
1-(4-bromo-2-pyridinyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877451
2-hydrazinyl-N-[(3-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 62237337
1-(4-bromo-2-pyridinyl)-3-propylurea
CID 102820656
5-bromo-N-[(3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954224
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
1-(2-iodophenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 47192993
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea (CID 108898437) is 1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea is COc1cccc(CNC(=O)Nc2cc(Br)ccn2)c1.
What is the InChIKey of 1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea?
The InChIKey is UWQODHCKLLANMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-12-4-2-3-10(7-12)9-17-14(19)18-13-8-11(15)5-6-16-13/h2-8H,9H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea?
1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea has a molecular weight of 336.19 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridinyl)-3-[(3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108898437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).