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

C13H12BrN3O2 — CID 115368565

IUPACN-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccncc1N
InChIInChI=1S/C13H12BrN3O2/c1-19-12-6-8(14)2-3-9(12)13(18)17-11-4-5-16-7-10(11)15/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyKEOVLDYZXUFEFO-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.69
Rot. Bonds3

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

N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide (PubChem CID 115368565) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
PubChem CID115368565
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1ccncc1N
InChIInChI=1S/C13H12BrN3O2/c1-19-12-6-8(14)2-3-9(12)13(18)17-11-4-5-16-7-10(11)15/h2-7H,15H2,1H3,(H,16,17,18)
InChIKeyKEOVLDYZXUFEFO-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-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
N-(5-bromo-2-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 64949895
4-bromo-N-(2-bromo-3-pyridinyl)-2-methoxybenzamide
CID 103819401
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
4-bromo-N-(5-bromo-2-chlorophenyl)-2-methoxybenzamide
CID 78920099
2-amino-4-bromo-N-(4-chloro-3-pyridinyl)benzamide
CID 83167499
N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide
CID 63062252
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612
4-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 78987594

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide (CID 115368565) is N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide is COc1cc(Br)ccc1C(=O)Nc1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide?
The InChIKey is KEOVLDYZXUFEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-19-12-6-8(14)2-3-9(12)13(18)17-11-4-5-16-7-10(11)15/h2-7H,15H2,1H3,(H,16,17,18).
What are the key properties of N-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide?
N-(3-amino-4-pyridinyl)-4-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-(3-amino-4-pyridinyl)-4-bromo-2-methoxybenzamide is sourced from PubChem (CID 115368565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).