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

C13H13BrN4O — CID 61358200

IUPAC5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ncc(N)cc2C(N)=O)c(Br)c1
InChIInChI=1S/C13H13BrN4O/c1-7-2-3-11(10(14)4-7)18-13-9(12(16)19)5-8(15)6-17-13/h2-6H,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyODDBVLYDCQSBJF-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.58
Rot. Bonds3

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

5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide (PubChem CID 61358200) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide
PubChem CID61358200
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide
SMILESCc1ccc(Nc2ncc(N)cc2C(N)=O)c(Br)c1
InChIInChI=1S/C13H13BrN4O/c1-7-2-3-11(10(14)4-7)18-13-9(12(16)19)5-8(15)6-17-13/h2-6H,15H2,1H3,(H2,16,19)(H,17,18)
InChIKeyODDBVLYDCQSBJF-UHFFFAOYSA-N
XLogP2.58
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine
CID 114046080
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
CID 107571322
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide
CID 103584436
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
CID 82857322
5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide
CID 61359558
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-4-methylbenzamide
CID 112555464
5-amino-2-(2-cyano-4-fluoroanilino)pyridine-3-carboxamide
CID 82012776
5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
CID 61358006
5-amino-2-(5-bromo-2-methylanilino)pyridine-3-carboxylic acid
CID 114047042
N-(5-amino-3-methyl-2-pyridinyl)-2-bromo-5-methylbenzamide
CID 112555334
5-amino-2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide
CID 79770477
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide (CID 61358200) is 5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide is Cc1ccc(Nc2ncc(N)cc2C(N)=O)c(Br)c1.
What is the InChIKey of 5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide?
The InChIKey is ODDBVLYDCQSBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-7-2-3-11(10(14)4-7)18-13-9(12(16)19)5-8(15)6-17-13/h2-6H,15H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide?
5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 61358200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).