N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide

C13H10F3N3O — CID 82330987

IUPACN-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide
SMILESCc1nc(NC(=O)c2ccc(F)c(F)c2F)ccc1N
InChIInChI=1S/C13H10F3N3O/c1-6-9(17)4-5-10(18-6)19-13(20)7-2-3-8(14)12(16)11(7)15/h2-5H,17H2,1H3,(H,18,19,20)
InChIKeyYSBCHUUISBJIKI-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.64
Rot. Bonds2

About N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide

N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide (PubChem CID 82330987) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide
PubChem CID82330987
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC NameN-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide
SMILESCc1nc(NC(=O)c2ccc(F)c(F)c2F)ccc1N
InChIInChI=1S/C13H10F3N3O/c1-6-9(17)4-5-10(18-6)19-13(20)7-2-3-8(14)12(16)11(7)15/h2-5H,17H2,1H3,(H,18,19,20)
InChIKeyYSBCHUUISBJIKI-UHFFFAOYSA-N
XLogP2.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 82330961
N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924
N-(5-amino-6-methyl-2-pyridinyl)-2-(4-chlorophenyl)acetamide
CID 82330943
N-(5-amino-6-methyl-2-pyridinyl)propanamide
CID 82330911
N-(5-amino-6-methyl-2-pyridinyl)-2-oxochromene-3-carboxamide
CID 82330981
5-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103296614
N-(5-amino-6-methyl-2-pyridinyl)-4-pyrrol-1-ylbenzamide
CID 82330985
2,3,4-trifluoro-N-[6-(pentylamino)pyridazin-3-yl]benzamide
CID 113044681
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 79041376
N-[5-(4-chloroanilino)-2-pyridinyl]-2,3,4-trifluorobenzamide
CID 113033399
ethyl 2-[4-[(2,3,4-trifluorobenzoyl)amino]triazol-1-yl]acetate
CID 84582602
2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide
CID 58997284

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide?
The IUPAC name of N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide (CID 82330987) is N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide?
The canonical SMILES for N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide is Cc1nc(NC(=O)c2ccc(F)c(F)c2F)ccc1N.
What is the InChIKey of N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide?
The InChIKey is YSBCHUUISBJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c1-6-9(17)4-5-10(18-6)19-13(20)7-2-3-8(14)12(16)11(7)15/h2-5H,17H2,1H3,(H,18,19,20).
What are the key properties of N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide?
N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide has a molecular weight of 281.24 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-methyl-2-pyridinyl)-2,3,4-trifluorobenzamide is sourced from PubChem (CID 82330987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).