(1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide

C21H23FN2O — CID 100900530

IUPAC(1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C21H23FN2O/c1-2-24(21(25)19-16-6-5-7-17(16)19)20(18-8-3-4-13-23-18)14-9-11-15(22)12-10-14/h3-4,8-13,16-17,19-20H,2,5-7H2,1H3/t16-,17-,20-/m1/s1
InChIKeyJKSOGEZRANEEKH-MBOZVWFJSA-N
MW338.43 g/mol
LogP4.20
Rot. Bonds5

About (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide

(1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 100900530) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID100900530
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name(1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESCCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(F)cc1)c1ccccn1
InChIInChI=1S/C21H23FN2O/c1-2-24(21(25)19-16-6-5-7-17(16)19)20(18-8-3-4-13-23-18)14-9-11-15(22)12-10-14/h3-4,8-13,16-17,19-20H,2,5-7H2,1H3/t16-,17-,20-/m1/s1
InChIKeyJKSOGEZRANEEKH-MBOZVWFJSA-N
XLogP4.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-2-methylpyridine-4-carboxamide
CID 100734440
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413387
N-[2-(2-chlorophenoxy)ethyl]-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413115
N-[2-(2-chlorophenoxy)ethyl]-N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 121413065
1-(2,2-dimethylpropanoyl)-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpiperidine-4-carboxamide
CID 126473148
N-[(S)-(4-fluorophenyl)-pyridin-2-ylmethyl]-N-(2-methyl-1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 121412934
N-cyclopentyl-2-(4-fluorophenyl)-2-pyridin-2-ylacetamide
CID 110373528
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 126471519
N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-ethyl-4-methoxybutanamide
CID 95979967
(2S)-N-cyclohexyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 97201502
2-[(4-fluorophenyl)-isocyanomethyl]pyridine
CID 162491168

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 100900530) is (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide is CCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(F)cc1)c1ccccn1.
What is the InChIKey of (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is JKSOGEZRANEEKH-MBOZVWFJSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-2-24(21(25)19-16-6-5-7-17(16)19)20(18-8-3-4-13-23-18)14-9-11-15(22)12-10-14/h3-4,8-13,16-17,19-20H,2,5-7H2,1H3/t16-,17-,20-/m1/s1.
What are the key properties of (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide?
(1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-ethyl-N-[(R)-(4-fluorophenyl)-pyridin-2-ylmethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 100900530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).