N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide

C13H12BrN3O — CID 61360177

IUPACN-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Br)c1ccncc1N
InChIInChI=1S/C13H12BrN3O/c1-17(12-6-7-16-8-11(12)15)13(18)9-4-2-3-5-10(9)14/h2-8H,15H2,1H3
InChIKeyAHJOIXITMAQQLH-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.70
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide

N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide (PubChem CID 61360177) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
PubChem CID61360177
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1Br)c1ccncc1N
InChIInChI=1S/C13H12BrN3O/c1-17(12-6-7-16-8-11(12)15)13(18)9-4-2-3-5-10(9)14/h2-8H,15H2,1H3
InChIKeyAHJOIXITMAQQLH-UHFFFAOYSA-N
XLogP2.70
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide (CID 61360177) is N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide is CN(C(=O)c1ccccc1Br)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide?
The InChIKey is AHJOIXITMAQQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-17(12-6-7-16-8-11(12)15)13(18)9-4-2-3-5-10(9)14/h2-8H,15H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide?
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide has a molecular weight of 306.16 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide is sourced from PubChem (CID 61360177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).