(1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

C11H14FN3O — CID 175857446

IUPAC(1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C1(F)C=CC=CN1
InChIInChI=1S/C11H14FN3O/c12-11(3-1-2-4-14-11)15-8-5-7(8)6-9(15)10(13)16/h1-4,7-9,14H,5-6H2,(H2,13,16)/t7-,8-,9+,11?/m1/s1
InChIKeyZRZWBMRVRZYXCV-OEJXEDHQSA-N
MW223.25 g/mol
LogP0.23
Rot. Bonds2

About (1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 175857446) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is (1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID175857446
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name(1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C1(F)C=CC=CN1
InChIInChI=1S/C11H14FN3O/c12-11(3-1-2-4-14-11)15-8-5-7(8)6-9(15)10(13)16/h1-4,7-9,14H,5-6H2,(H2,13,16)/t7-,8-,9+,11?/m1/s1
InChIKeyZRZWBMRVRZYXCV-OEJXEDHQSA-N
XLogP0.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoropenta-1,3-dien-3-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 123654014

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 175857446) is (1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C1(F)C=CC=CN1.
What is the InChIKey of (1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is ZRZWBMRVRZYXCV-OEJXEDHQSA-N. The full InChI is InChI=1S/C11H14FN3O/c12-11(3-1-2-4-14-11)15-8-5-7(8)6-9(15)10(13)16/h1-4,7-9,14H,5-6H2,(H2,13,16)/t7-,8-,9+,11?/m1/s1.
What are the key properties of (1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-2-(2-fluoro-1H-pyridin-2-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 175857446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).