1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea

C14H14BrN3O2 — CID 108868273

IUPAC1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C14H14BrN3O2/c1-20-12-5-2-10(3-6-12)8-17-14(19)18-13-7-4-11(15)9-16-13/h2-7,9H,8H2,1H3,(H2,16,17,18,19)
InChIKeyQUGUGNUAUNOHQN-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.17
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea

1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 108868273) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID108868273
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C14H14BrN3O2/c1-20-12-5-2-10(3-6-12)8-17-14(19)18-13-7-4-11(15)9-16-13/h2-7,9H,8H2,1H3,(H2,16,17,18,19)
InChIKeyQUGUGNUAUNOHQN-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-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
1-(4-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea
CID 56675716
1-[(4-bromophenyl)methyl]-3-pyridin-2-ylurea
CID 108894670
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027448
N-(5-bromo-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29139061
1-[5-(aminomethyl)-2-pyridinyl]-3-(4-methoxyphenyl)urea
CID 62354540
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
1-(5-bromo-2-pyridinyl)-3-[[4-(difluoromethoxy)phenyl]methyl]thiourea
CID 24741150
N-(5-bromo-2-pyridinyl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499167
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea (CID 108868273) is 1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is QUGUGNUAUNOHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-12-5-2-10(3-6-12)8-17-14(19)18-13-7-4-11(15)9-16-13/h2-7,9H,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(5-bromo-2-pyridinyl)-3-[(4-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-(5-bromo-2-pyridinyl)-3-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108868273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).