1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea

C14H14BrN3O2 — CID 47326377

IUPAC1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(Br)cc1NC(=O)NCc1cccnc1
InChIInChI=1S/C14H14BrN3O2/c1-20-13-5-4-11(15)7-12(13)18-14(19)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyRODUQEMDRXSGMQ-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.17
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea

1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 47326377) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID47326377
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(Br)cc1NC(=O)NCc1cccnc1
InChIInChI=1S/C14H14BrN3O2/c1-20-13-5-4-11(15)7-12(13)18-14(19)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H2,17,18,19)
InChIKeyRODUQEMDRXSGMQ-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-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450
1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 60545784
1-(5-bromo-2-methoxyphenyl)-3-[1-(pyridin-3-ylmethyl)indol-5-yl]urea
CID 69498250
1-N'-(2-methoxy-5-methylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976865
1-[(3-methoxy-4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)urea
CID 60569732
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963576
1-[(3-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108898973
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
3-N-(5-chloro-2-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055121
4-bromo-3-(pyridin-3-ylmethylcarbamoylamino)benzoic acid
CID 107813940
1-benzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4694869

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea (CID 47326377) is 1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea is COc1ccc(Br)cc1NC(=O)NCc1cccnc1.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is RODUQEMDRXSGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-13-5-4-11(15)7-12(13)18-14(19)17-9-10-3-2-6-16-8-10/h2-8H,9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(5-bromo-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)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-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 47326377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).