3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide

C13H13BrN4O — CID 79734210

IUPAC3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2cc(N)cc(N)c2)ncc1Br
InChIInChI=1S/C13H13BrN4O/c1-7-2-12(17-6-11(7)14)18-13(19)8-3-9(15)5-10(16)4-8/h2-6H,15-16H2,1H3,(H,17,18,19)
InChIKeyFKNPDNHXCZYBAH-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.57
Rot. Bonds2

About 3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide

3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide (PubChem CID 79734210) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
PubChem CID79734210
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide
SMILESCc1cc(NC(=O)c2cc(N)cc(N)c2)ncc1Br
InChIInChI=1S/C13H13BrN4O/c1-7-2-12(17-6-11(7)14)18-13(19)8-3-9(15)5-10(16)4-8/h2-6H,15-16H2,1H3,(H,17,18,19)
InChIKeyFKNPDNHXCZYBAH-UHFFFAOYSA-N
XLogP2.57
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 79733791
N-(5-bromo-4-methyl-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 81323954
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094
N-(5-bromo-4-methyl-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 46307937
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-3-fluorobenzamide
CID 79734700
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzamide
CID 79733686
N-(5-bromo-4-methyl-2-pyridinyl)-4-fluoro-3-methylbenzamide
CID 79733912
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloro-3-methylbenzamide
CID 113397189
4-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-chlorobenzamide
CID 81294858
N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrazole-4-carboxamide
CID 79729400
5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 162076548
4-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-pyrazole-5-carboxamide
CID 79734498

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide (CID 79734210) is 3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide is Cc1cc(NC(=O)c2cc(N)cc(N)c2)ncc1Br.
What is the InChIKey of 3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide?
The InChIKey is FKNPDNHXCZYBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-7-2-12(17-6-11(7)14)18-13(19)8-3-9(15)5-10(16)4-8/h2-6H,15-16H2,1H3,(H,17,18,19).
What are the key properties of 3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide?
3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide has a molecular weight of 321.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(5-bromo-4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 79734210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).