N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide

C13H11Br2N3O2 — CID 62874469

IUPACN-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C13H11Br2N3O2/c1-20-13-8(3-2-4-17-13)12(19)18-11-9(15)5-7(14)6-10(11)16/h2-6H,16H2,1H3,(H,18,19)
InChIKeyFAWNATVKOZNMDU-UHFFFAOYSA-N
MW401.06 g/mol
LogP3.45
Rot. Bonds3

About N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide

N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide (PubChem CID 62874469) has the molecular formula C13H11Br2N3O2 and a molecular weight of 401.06 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
PubChem CID62874469
Molecular FormulaC13H11Br2N3O2
Molecular Weight401.06 g/mol
Exact Mass398.92
IUPAC NameN-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1c(N)cc(Br)cc1Br
InChIInChI=1S/C13H11Br2N3O2/c1-20-13-8(3-2-4-17-13)12(19)18-11-9(15)5-7(14)6-10(11)16/h2-6H,16H2,1H3,(H,18,19)
InChIKeyFAWNATVKOZNMDU-UHFFFAOYSA-N
XLogP3.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.06
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2,4,6-tribromophenyl)pyridine-3-carboxamide
CID 62156294
3-bromo-2-[(2-methoxypyridine-3-carbonyl)amino]benzoic acid
CID 63112978
N-(2-bromophenyl)-2-methoxypyridine-3-carboxamide
CID 55023834
N-(2,6-dichlorophenyl)-2-methoxypyridine-3-carboxamide
CID 110864324
N-(2-amino-4,6-dibromophenyl)-2-methoxy-5-methylbenzamide
CID 62504201
N-(2-bromo-5-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 82707201
N-(2-amino-4,6-dibromophenyl)-2-methylsulfanylbenzamide
CID 79215660
N-(2-bromo-5-fluorophenyl)-2-methoxypyridine-3-carboxamide
CID 103753597
N-(2-amino-4,6-dibromophenyl)benzamide
CID 43548444
N-(4-bromo-2-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 82695069
N-(2-bromo-4-carbamothioylphenyl)-2-methoxypyridine-3-carboxamide
CID 107789815
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide (CID 62874469) is N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1c(N)cc(Br)cc1Br.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide?
The InChIKey is FAWNATVKOZNMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O2/c1-20-13-8(3-2-4-17-13)12(19)18-11-9(15)5-7(14)6-10(11)16/h2-6H,16H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide?
N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide has a molecular weight of 401.06 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 62874469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).