1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea

C14H14BrN3O2 — CID 6468001

IUPAC1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C14H14BrN3O2/c1-2-20-12-6-4-11(5-7-12)17-14(19)18-13-8-3-10(15)9-16-13/h3-9H,2H2,1H3,(H2,16,17,18,19)
InChIKeyGVTVQPOJVPPCPR-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.89
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea

1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea (PubChem CID 6468001) 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-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea
PubChem CID6468001
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C14H14BrN3O2/c1-2-20-12-6-4-11(5-7-12)17-14(19)18-13-8-3-10(15)9-16-13/h3-9H,2H2,1H3,(H2,16,17,18,19)
InChIKeyGVTVQPOJVPPCPR-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Methoxyphenyl)-N'-(2-pyridinyl)thiourea
CID 686300
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
1-(4-Ethoxyphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769331
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
1-(4-Methoxyphenyl)-3-pyrazin-2-ylurea
CID 6466040
1-(4-Ethyl-2-pyridinyl)-3-(4-phenylmethoxyphenyl)urea
CID 2811862
1-(4-Ethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6465574
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
1-(5-Bromopyridin-2-yl)-3-(3-methoxyphenyl)urea
CID 6468184
1-(4-Methoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 790705
1-(2-Methoxyphenyl)-3-(3-methylpyridin-2-yl)urea
CID 651733
5-bromo-3-ethoxy-N-(6-methylpyridin-2-yl)pyridin-2-amine
CID 11415580

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea (CID 6468001) is 1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea?
The InChIKey is GVTVQPOJVPPCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-2-20-12-6-4-11(5-7-12)17-14(19)18-13-8-3-10(15)9-16-13/h3-9H,2H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea?
1-(5-bromo-2-pyridinyl)-3-(4-ethoxyphenyl)urea has a molecular weight of 336.19 g/mol, XLogP of 3.89, 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-ethoxyphenyl)urea is sourced from PubChem (CID 6468001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).