N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide

C13H12BrN3O — CID 62901139

IUPACN-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C13H12BrN3O/c1-8-6-9(14)2-4-11(8)13(18)17-10-3-5-12(15)16-7-10/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyRBSFCWUVMRLZEC-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.99
Rot. Bonds2

About N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide

N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide (PubChem CID 62901139) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
PubChem CID62901139
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
SMILESCc1cc(Br)ccc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C13H12BrN3O/c1-8-6-9(14)2-4-11(8)13(18)17-10-3-5-12(15)16-7-10/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyRBSFCWUVMRLZEC-UHFFFAOYSA-N
XLogP2.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
CID 115274447
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405
2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide
CID 114051740
6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 55036943
4-[(4-bromo-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651193
2-[5-[(5-bromo-2-methylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107339399
N-(4-amino-2,5-dimethylphenyl)-4-bromo-2-methylbenzamide
CID 103144641
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
N-(6-amino-3-pyridinyl)-4-chloro-2-hydroxybenzamide
CID 55132975
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide (CID 62901139) is N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide is Cc1cc(Br)ccc1C(=O)Nc1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide?
The InChIKey is RBSFCWUVMRLZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c1-8-6-9(14)2-4-11(8)13(18)17-10-3-5-12(15)16-7-10/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide?
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide has a molecular weight of 306.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide is sourced from PubChem (CID 62901139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).