1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea

C17H15BrN4O — CID 58310510

IUPAC1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc2ncc(Br)cc2n1
InChIInChI=1S/C17H15BrN4O/c18-13-10-15-14(20-11-13)6-7-16(21-15)22-17(23)19-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,19,21,22,23)
InChIKeyBJRBLWDUIJBLMC-UHFFFAOYSA-N
MW371.24 g/mol
LogP3.76
Rot. Bonds4

About 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea

1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea (PubChem CID 58310510) has the molecular formula C17H15BrN4O and a molecular weight of 371.24 g/mol. Its IUPAC name is 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea
PubChem CID58310510
Molecular FormulaC17H15BrN4O
Molecular Weight371.24 g/mol
Exact Mass370.04
IUPAC Name1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc2ncc(Br)cc2n1
InChIInChI=1S/C17H15BrN4O/c18-13-10-15-14(20-11-13)6-7-16(21-15)22-17(23)19-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,19,21,22,23)
InChIKeyBJRBLWDUIJBLMC-UHFFFAOYSA-N
XLogP3.76
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-phenylpropyl)-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164299
1-[7-(3,5-dichloro-4-hydroxyphenyl)quinoxalin-2-yl]-3-(3-phenylpropyl)urea
CID 135908248
1-(5-bromo-2-pyridinyl)-3-(2-phenylethyl)thiourea
CID 2429552
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
1-[2-(3-bromophenyl)ethyl]-3-pyridin-2-ylurea
CID 108894672
1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108902373
1-[2-(3-bromophenyl)ethyl]-3-pyrazin-2-ylurea
CID 108893891
1-(4-phenylbutyl)-3-[3-(1H-pyrazol-5-yl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 66558948
1-[2-(1H-indol-3-yl)ethyl]-3-[7-(1H-pyrazol-4-yl)-1,5-naphthyridin-2-yl]urea
CID 90164317
5-bromo-2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 63537491
3-[2-(3-bromophenyl)ethylcarbamoylamino]benzoic acid
CID 108901553
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea (CID 58310510) is 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1ccc2ncc(Br)cc2n1.
What is the InChIKey of 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea?
The InChIKey is BJRBLWDUIJBLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O/c18-13-10-15-14(20-11-13)6-7-16(21-15)22-17(23)19-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H2,19,21,22,23).
What are the key properties of 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea?
1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea has a molecular weight of 371.24 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 58310510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).