6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide

C12H13F2N3O — CID 167958734

IUPAC6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCc1ccncc1NC(=O)C12CNCC1C2(F)F
InChIInChI=1S/C12H13F2N3O/c1-7-2-3-15-4-8(7)17-10(18)11-6-16-5-9(11)12(11,13)14/h2-4,9,16H,5-6H2,1H3,(H,17,18)
InChIKeyRCLKOQOGTJKAAO-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.18
Rot. Bonds2

About 6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide

6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide (PubChem CID 167958734) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide.

Molecular Properties

Compound Name6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
PubChem CID167958734
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
SMILESCc1ccncc1NC(=O)C12CNCC1C2(F)F
InChIInChI=1S/C12H13F2N3O/c1-7-2-3-15-4-8(7)17-10(18)11-6-16-5-9(11)12(11,13)14/h2-4,9,16H,5-6H2,1H3,(H,17,18)
InChIKeyRCLKOQOGTJKAAO-UHFFFAOYSA-N
XLogP1.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The IUPAC name of 6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide (CID 167958734) is 6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide.
What is the SMILES notation for 6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The canonical SMILES for 6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide is Cc1ccncc1NC(=O)C12CNCC1C2(F)F.
What is the InChIKey of 6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
The InChIKey is RCLKOQOGTJKAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-7-2-3-15-4-8(7)17-10(18)11-6-16-5-9(11)12(11,13)14/h2-4,9,16H,5-6H2,1H3,(H,17,18).
What are the key properties of 6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide?
6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide has a molecular weight of 253.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-N-(4-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide is sourced from PubChem (CID 167958734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).