N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide

C13H12BrN3O2 — CID 115274447

IUPACN-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C13H12BrN3O2/c1-19-11-4-2-8(14)6-10(11)13(18)17-9-3-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyNHVRXOAEBSOZIY-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.69
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide

N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide (PubChem CID 115274447) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
PubChem CID115274447
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide
SMILESCOc1ccc(Br)cc1C(=O)Nc1ccc(N)nc1
InChIInChI=1S/C13H12BrN3O2/c1-19-11-4-2-8(14)6-10(11)13(18)17-9-3-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18)
InChIKeyNHVRXOAEBSOZIY-UHFFFAOYSA-N
XLogP2.69
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
5-[(5-bromo-2-methoxybenzoyl)amino]-2-methylbenzoic acid
CID 17296186
2-amino-5-bromo-N-(6-bromo-3-pyridinyl)benzamide
CID 114051740
5-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 9320508
N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
CID 100828602
5-bromo-2-methoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 2994913
propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 17050502
2,5-dibromo-N-(3,4-dimethoxyphenyl)benzamide
CID 990540
2-amino-N-(6-chloro-3-pyridinyl)-4,5-dimethoxybenzamide
CID 115279862
5-bromo-N-(4-bromo-2-iodophenyl)-2-methoxybenzamide
CID 4660639

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide (CID 115274447) is N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide is COc1ccc(Br)cc1C(=O)Nc1ccc(N)nc1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide?
The InChIKey is NHVRXOAEBSOZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-11-4-2-8(14)6-10(11)13(18)17-9-3-5-12(15)16-7-9/h2-7H,1H3,(H2,15,16)(H,17,18).
What are the key properties of N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide?
N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide has a molecular weight of 322.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-5-bromo-2-methoxybenzamide is sourced from PubChem (CID 115274447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).