N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide

C11H10BrN3O — CID 166431642

IUPACN-(3-bromo-1-methylindazol-6-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(Br)nn(C)c2c1
InChIInChI=1S/C11H10BrN3O/c1-3-10(16)13-7-4-5-8-9(6-7)15(2)14-11(8)12/h3-6H,1H2,2H3,(H,13,16)
InChIKeyKMBAQAGZDWTWGM-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.46
Rot. Bonds2

About N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide

N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide (PubChem CID 166431642) has the molecular formula C11H10BrN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-bromo-1-methylindazol-6-yl)prop-2-enamide
PubChem CID166431642
Molecular FormulaC11H10BrN3O
Molecular Weight280.13 g/mol
Exact Mass279.00
IUPAC NameN-(3-bromo-1-methylindazol-6-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(Br)nn(C)c2c1
InChIInChI=1S/C11H10BrN3O/c1-3-10(16)13-7-4-5-8-9(6-7)15(2)14-11(8)12/h3-6H,1H2,2H3,(H,13,16)
InChIKeyKMBAQAGZDWTWGM-UHFFFAOYSA-N
XLogP2.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
N-(6-bromonaphthalen-2-yl)prop-2-enamide
CID 81259787
2-chloro-N-(1,3-dimethylindazol-6-yl)acetamide
CID 166414870
N-[3-(3-methoxyphenyl)benzimidazol-5-yl]prop-2-enamide
CID 11437815
N-(2H-isoindol-5-yl)prop-2-enamide
CID 164518553
N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide
CID 155581978
N-[4-[6-(3-fluorophenyl)-2-methylindazol-3-yl]phenyl]prop-2-enamide
CID 155667168
N-[3-[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-methylindol-6-yl]prop-2-enamide
CID 164911786
N-[4-(1,2,4-triazol-4-yl)phenyl]prop-2-enamide
CID 167921326
N-[4-bromo-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 13411359
N-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]prop-2-enamide
CID 139745783
N-(3H-benzimidazol-5-yl)prop-2-enamide
CID 4318258

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide?
The IUPAC name of N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide (CID 166431642) is N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide.
What is the SMILES notation for N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide?
The canonical SMILES for N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide is C=CC(=O)Nc1ccc2c(Br)nn(C)c2c1.
What is the InChIKey of N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide?
The InChIKey is KMBAQAGZDWTWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-3-10(16)13-7-4-5-8-9(6-7)15(2)14-11(8)12/h3-6H,1H2,2H3,(H,13,16).
What are the key properties of N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide?
N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide has a molecular weight of 280.13 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide is sourced from PubChem (CID 166431642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).