6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide

C13H11Br2N3O2 — CID 103416721

IUPAC6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N)nc2)c(Br)cc1Br
InChIInChI=1S/C13H11Br2N3O2/c1-20-11-5-10(8(14)4-9(11)15)18-13(19)7-2-3-12(16)17-6-7/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyGLEJDKXNCKBVCQ-UHFFFAOYSA-N
MW401.06 g/mol
LogP3.45
Rot. Bonds3

About 6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide

6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 103416721) has the molecular formula C13H11Br2N3O2 and a molecular weight of 401.06 g/mol. Its IUPAC name is 6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide
PubChem CID103416721
Molecular FormulaC13H11Br2N3O2
Molecular Weight401.06 g/mol
Exact Mass398.92
IUPAC Name6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(N)nc2)c(Br)cc1Br
InChIInChI=1S/C13H11Br2N3O2/c1-20-11-5-10(8(14)4-9(11)15)18-13(19)7-2-3-12(16)17-6-7/h2-6H,1H3,(H2,16,17)(H,18,19)
InChIKeyGLEJDKXNCKBVCQ-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

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Related Compounds

6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 107630962
N-(2,4-dibromo-5-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 107676866
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
N-(2,4-dibromo-5-methoxyphenyl)-3-sulfanylbenzamide
CID 107037079
6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793435
6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide
CID 114261542
3-amino-N-(2,4-dibromo-5-methoxyphenyl)thiophene-2-carboxamide
CID 103410452
N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
CID 43549544
6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 55036943
2-amino-N-(2,4-dibromo-5-methoxyphenyl)-3-methylbenzamide
CID 103410429

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide (CID 103416721) is 6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(N)nc2)c(Br)cc1Br.
What is the InChIKey of 6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is GLEJDKXNCKBVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3O2/c1-20-11-5-10(8(14)4-9(11)15)18-13(19)7-2-3-12(16)17-6-7/h2-6H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide?
6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-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 6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 103416721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).