5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide

C14H15BrN4O — CID 107571322

IUPAC5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1cc(Nc2ncc(N)cc2C(N)=O)cc(C)c1Br
InChIInChI=1S/C14H15BrN4O/c1-7-3-10(4-8(2)12(7)15)19-14-11(13(17)20)5-9(16)6-18-14/h3-6H,16H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyHIVGZVQFRKFTLM-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.89
Rot. Bonds3

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

5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide (PubChem CID 107571322) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
PubChem CID107571322
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1cc(Nc2ncc(N)cc2C(N)=O)cc(C)c1Br
InChIInChI=1S/C14H15BrN4O/c1-7-3-10(4-8(2)12(7)15)19-14-11(13(17)20)5-9(16)6-18-14/h3-6H,16H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyHIVGZVQFRKFTLM-UHFFFAOYSA-N
XLogP2.89
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-bromo-3,5-dimethylphenyl)-3-methylpyridine-2,5-diamine
CID 107571400
5-amino-2-(2,5-difluoro-4-methylanilino)pyridine-3-carboxamide
CID 103584436
5-amino-2-(2-bromo-4-methylanilino)pyridine-3-carboxamide
CID 61358200
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-methylpyridine-3-carboxamide
CID 107571106
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
CID 82857322
5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
CID 61358006
2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
CID 107577603
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxylic acid
CID 107575443
5-amino-2-[(1-methylpyrazol-3-yl)amino]pyridine-3-carboxamide
CID 79770477
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759
5-amino-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 61358785

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide (CID 107571322) is 5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide is Cc1cc(Nc2ncc(N)cc2C(N)=O)cc(C)c1Br.
What is the InChIKey of 5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is HIVGZVQFRKFTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-7-3-10(4-8(2)12(7)15)19-14-11(13(17)20)5-9(16)6-18-14/h3-6H,16H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide?
5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-bromo-3,5-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 107571322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).