N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide

C13H10F3N3O — CID 24752865

IUPACN-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20)
InChIKeyBTCFFMPDIBWZLF-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.93
Rot. Bonds2

About N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide

N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide (PubChem CID 24752865) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide
PubChem CID24752865
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC NameN-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide
SMILESNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20)
InChIKeyBTCFFMPDIBWZLF-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide (CID 24752865) is N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide is Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide?
The InChIKey is BTCFFMPDIBWZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20).
What are the key properties of N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide?
N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide has a molecular weight of 281.24 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 24752865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).