5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide

C13H13BrN4O2 — CID 82857322

IUPAC5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2ncc(N)cc2C(N)=O)ccc1Br
InChIInChI=1S/C13H13BrN4O2/c1-20-11-5-8(2-3-10(11)14)18-13-9(12(16)19)4-7(15)6-17-13/h2-6H,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyQAQXXFCNSHJXPJ-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.28
Rot. Bonds4

About 5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide

5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide (PubChem CID 82857322) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
PubChem CID82857322
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1cc(Nc2ncc(N)cc2C(N)=O)ccc1Br
InChIInChI=1S/C13H13BrN4O2/c1-20-11-5-8(2-3-10(11)14)18-13-9(12(16)19)4-7(15)6-17-13/h2-6H,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyQAQXXFCNSHJXPJ-UHFFFAOYSA-N
XLogP2.28
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808
4-amino-2-(4-bromo-3-methoxyanilino)benzamide
CID 82858027
2-(4-bromo-3-methoxyanilino)pyridine-3-carbothioamide
CID 82867163
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
CID 107571322
3-(4-bromo-3-methoxyanilino)pyrazine-2-carbothioamide
CID 82867417
5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
CID 61358006
5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide
CID 61358200
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine
CID 82857790
5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
5-(4-bromo-3-methoxyanilino)pyrazine-2-carbothioamide
CID 82868325

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide (CID 82857322) is 5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide is COc1cc(Nc2ncc(N)cc2C(N)=O)ccc1Br.
What is the InChIKey of 5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is QAQXXFCNSHJXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-20-11-5-8(2-3-10(11)14)18-13-9(12(16)19)4-7(15)6-17-13/h2-6H,15H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide?
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 337.18 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 82857322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).