N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C10H9F6N3O — CID 103309083

IUPACN-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1cc(N)cnc1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F6N3O/c1-4-2-5(17)3-18-7(4)19-8(20)6(9(11,12)13)10(14,15)16/h2-3,6H,17H2,1H3,(H,18,19,20)
InChIKeyRRLHQCCGBXOKFN-UHFFFAOYSA-N
MW301.19 g/mol
LogP2.65
Rot. Bonds2

About N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309083) has the molecular formula C10H9F6N3O and a molecular weight of 301.19 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309083
Molecular FormulaC10H9F6N3O
Molecular Weight301.19 g/mol
Exact Mass301.06
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCc1cc(N)cnc1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F6N3O/c1-4-2-5(17)3-18-7(4)19-8(20)6(9(11,12)13)10(14,15)16/h2-3,6H,17H2,1H3,(H,18,19,20)
InChIKeyRRLHQCCGBXOKFN-UHFFFAOYSA-N
XLogP2.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309083) is N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is Cc1cc(N)cnc1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is RRLHQCCGBXOKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6N3O/c1-4-2-5(17)3-18-7(4)19-8(20)6(9(11,12)13)10(14,15)16/h2-3,6H,17H2,1H3,(H,18,19,20).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 301.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).