5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C14H16F3N3O — CID 167316692

IUPAC5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1ccc(C(F)(F)F)nc1NC(=O)C1CC2(C)CC2N1
InChIInChI=1S/C14H16F3N3O/c1-7-3-4-9(14(15,16)17)19-11(7)20-12(21)8-5-13(2)6-10(13)18-8/h3-4,8,10,18H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyACCVKWDAFAYOKD-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.49
Rot. Bonds2

About 5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 167316692) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID167316692
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCc1ccc(C(F)(F)F)nc1NC(=O)C1CC2(C)CC2N1
InChIInChI=1S/C14H16F3N3O/c1-7-3-4-9(14(15,16)17)19-11(7)20-12(21)8-5-13(2)6-10(13)18-8/h3-4,8,10,18H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyACCVKWDAFAYOKD-UHFFFAOYSA-N
XLogP2.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 167316692) is 5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is Cc1ccc(C(F)(F)F)nc1NC(=O)C1CC2(C)CC2N1.
What is the InChIKey of 5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is ACCVKWDAFAYOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-7-3-4-9(14(15,16)17)19-11(7)20-12(21)8-5-13(2)6-10(13)18-8/h3-4,8,10,18H,5-6H2,1-2H3,(H,19,20,21).
What are the key properties of 5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 299.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 167316692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).