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

C11H10BrN5O2 — CID 118497499

IUPAC1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea
SMILESCC(=O)NN(C(N)=O)c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C11H10BrN5O2/c1-6(18)16-17(11(13)19)10-3-2-8-9(15-10)4-7(12)5-14-8/h2-5H,1H3,(H2,13,19)(H,16,18)
InChIKeyTUAGKIOAMLIUIK-UHFFFAOYSA-N
MW324.14 g/mol
LogP1.33
Rot. Bonds1

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

1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea (PubChem CID 118497499) has the molecular formula C11H10BrN5O2 and a molecular weight of 324.14 g/mol. Its IUPAC name is 1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea.

Molecular Properties

Compound Name1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea
PubChem CID118497499
Molecular FormulaC11H10BrN5O2
Molecular Weight324.14 g/mol
Exact Mass323.00
IUPAC Name1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea
SMILESCC(=O)NN(C(N)=O)c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C11H10BrN5O2/c1-6(18)16-17(11(13)19)10-3-2-8-9(15-10)4-7(12)5-14-8/h2-5H,1H3,(H2,13,19)(H,16,18)
InChIKeyTUAGKIOAMLIUIK-UHFFFAOYSA-N
XLogP1.33
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromoquinolin-6-yl)acetamide
CID 15378467
1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea
CID 87313669
7-bromo-2-prop-1-en-2-ylquinoxaline
CID 67476107
2,7-dibromoquinoxaline
CID 827486
2-(3-bromoquinolin-6-yl)acetic acid
CID 59320341
N-(7-bromo-1,5-naphthyridin-2-yl)-5-methyl-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 90288081
(6-bromoquinolin-3-yl) carbamate
CID 175521488
methyl 4,7-dibromo-1,5-naphthyridine-3-carboxylate
CID 102941566
methyl 3-bromoquinoline-7-carboxylate
CID 117100290
2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone
CID 146662188
7-bromopyrido[3,2-d]pyrimidin-2-amine
CID 122129854
1-(7-bromo-1,5-naphthyridin-2-yl)-3-(2-phenylethyl)urea
CID 58310510

Frequently Asked Questions

What is the IUPAC name of 1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea?
The IUPAC name of 1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea (CID 118497499) is 1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea.
What is the SMILES notation for 1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea?
The canonical SMILES for 1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea is CC(=O)NN(C(N)=O)c1ccc2ncc(Br)cc2n1.
What is the InChIKey of 1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea?
The InChIKey is TUAGKIOAMLIUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN5O2/c1-6(18)16-17(11(13)19)10-3-2-8-9(15-10)4-7(12)5-14-8/h2-5H,1H3,(H2,13,19)(H,16,18).
What are the key properties of 1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea?
1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea has a molecular weight of 324.14 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea is sourced from PubChem (CID 118497499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).