3-amino-4-bromo-N-pyridin-3-ylbenzamide

C12H10BrN3O — CID 61090533

IUPAC3-amino-4-bromo-N-pyridin-3-ylbenzamide
SMILESNc1cc(C(=O)Nc2cccnc2)ccc1Br
InChIInChI=1S/C12H10BrN3O/c13-10-4-3-8(6-11(10)14)12(17)16-9-2-1-5-15-7-9/h1-7H,14H2,(H,16,17)
InChIKeyIULJAEHOLILVTN-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.68
Rot. Bonds2

About 3-amino-4-bromo-N-pyridin-3-ylbenzamide

3-amino-4-bromo-N-pyridin-3-ylbenzamide (PubChem CID 61090533) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 3-amino-4-bromo-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-pyridin-3-ylbenzamide
PubChem CID61090533
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name3-amino-4-bromo-N-pyridin-3-ylbenzamide
SMILESNc1cc(C(=O)Nc2cccnc2)ccc1Br
InChIInChI=1S/C12H10BrN3O/c13-10-4-3-8(6-11(10)14)12(17)16-9-2-1-5-15-7-9/h1-7H,14H2,(H,16,17)
InChIKeyIULJAEHOLILVTN-UHFFFAOYSA-N
XLogP2.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
3-amino-4-bromo-N-(3-bromophenyl)benzamide
CID 61091693
3-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 61166318
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
3-amino-4-bromo-N-naphthalen-2-ylbenzamide
CID 61116894
N-pyridin-3-yl-3-sulfamoylbenzamide
CID 164627954
N-(3-amino-4-bromophenyl)quinoline-6-carboxamide
CID 79754299
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
3-amino-4-bromo-N-(3-ethylphenyl)benzamide
CID 61090789
4-hydrazinyl-3-methyl-N-pyridin-3-ylbenzamide
CID 63212144
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-amino-4-bromo-N-pyridin-3-ylbenzamide (CID 61090533) is 3-amino-4-bromo-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-amino-4-bromo-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-amino-4-bromo-N-pyridin-3-ylbenzamide is Nc1cc(C(=O)Nc2cccnc2)ccc1Br.
What is the InChIKey of 3-amino-4-bromo-N-pyridin-3-ylbenzamide?
The InChIKey is IULJAEHOLILVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-10-4-3-8(6-11(10)14)12(17)16-9-2-1-5-15-7-9/h1-7H,14H2,(H,16,17).
What are the key properties of 3-amino-4-bromo-N-pyridin-3-ylbenzamide?
3-amino-4-bromo-N-pyridin-3-ylbenzamide has a molecular weight of 292.14 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 61090533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).