4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide

C12H11BrN4O — CID 93208845

IUPAC4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncc(N)cc2Br)cc1
InChIInChI=1S/C12H11BrN4O/c13-10-5-8(14)6-16-12(10)17-9-3-1-7(2-4-9)11(15)18/h1-6H,14H2,(H2,15,18)(H,16,17)
InChIKeyQFBHIFIQNFJJRE-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.27
Rot. Bonds3

About 4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide

4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide (PubChem CID 93208845) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide
PubChem CID93208845
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncc(N)cc2Br)cc1
InChIInChI=1S/C12H11BrN4O/c13-10-5-8(14)6-16-12(10)17-9-3-1-7(2-4-9)11(15)18/h1-6H,14H2,(H2,15,18)(H,16,17)
InChIKeyQFBHIFIQNFJJRE-UHFFFAOYSA-N
XLogP2.27
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(5-amino-3-bromo-2-pyridinyl)amino]phenyl]ethanone
CID 93208856
3-bromo-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,5-diamine
CID 79532026
5-amino-2-(4-chloroanilino)pyridine-3-carboxamide
CID 61358006
3-bromo-2-N-(4-chloro-3-fluorophenyl)pyridine-2,5-diamine
CID 79532378
5-amino-2-(4-bromo-3-methoxyanilino)pyridine-3-carboxamide
CID 82857322
methyl 4-[(5-amino-3-methyl-2-pyridinyl)amino]benzoate
CID 82482908
6-(4-aminoanilino)pyridine-3-carboxamide
CID 24711286
5-amino-2-anilinopyridine-3-carboxylic acid
CID 82474001
3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
CID 79530694
3-bromo-2-N-(3-ethoxyphenyl)pyridine-2,5-diamine
CID 79532623
3-bromo-2-N-(3-chloro-4-methoxyphenyl)pyridine-2,5-diamine
CID 79531691
4-[(3-carbamothioylpyrazin-2-yl)amino]benzamide
CID 55103040

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide?
The IUPAC name of 4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide (CID 93208845) is 4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide.
What is the SMILES notation for 4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide?
The canonical SMILES for 4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide is NC(=O)c1ccc(Nc2ncc(N)cc2Br)cc1.
What is the InChIKey of 4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide?
The InChIKey is QFBHIFIQNFJJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c13-10-5-8(14)6-16-12(10)17-9-3-1-7(2-4-9)11(15)18/h1-6H,14H2,(H2,15,18)(H,16,17).
What are the key properties of 4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide?
4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide has a molecular weight of 307.15 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-bromo-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 93208845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).