(1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide

C20H21ClN2O — CID 100900534

IUPAC(1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C20H21ClN2O/c1-23(20(24)18-16-5-2-6-17(16)18)19(14-4-3-11-22-12-14)13-7-9-15(21)10-8-13/h3-4,7-12,16-19H,2,5-6H2,1H3/t16-,17-,19-/m1/s1
InChIKeyLAFBKDIAPSSYEF-ZHALLVOQSA-N
MW340.85 g/mol
LogP4.33
Rot. Bonds4

About (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide

(1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 100900534) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID100900534
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name(1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(Cl)cc1)c1cccnc1
InChIInChI=1S/C20H21ClN2O/c1-23(20(24)18-16-5-2-6-17(16)18)19(14-4-3-11-22-12-14)13-7-9-15(21)10-8-13/h3-4,7-12,16-19H,2,5-6H2,1H3/t16-,17-,19-/m1/s1
InChIKeyLAFBKDIAPSSYEF-ZHALLVOQSA-N
XLogP4.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[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

(1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 100900528
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 95234142
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide
CID 95908382
N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]-N-methyloxane-3-carboxamide
CID 75424625
1-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-1-methyl-3-[2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 95765356
N-[(S)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121413373
(1S,5S)-N-[1-(4-chlorophenyl)piperidin-4-yl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 98540486
4-[dimethylamino(pyridin-3-yl)methyl]aniline
CID 116907051
(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120637228
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
(3S)-N-ethyl-N-[(R)-(4-methoxyphenyl)-pyridin-3-ylmethyl]oxolane-3-carboxamide
CID 97213070
2-chloro-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 62225149

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 100900534) is (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1ccc(Cl)cc1)c1cccnc1.
What is the InChIKey of (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LAFBKDIAPSSYEF-ZHALLVOQSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-23(20(24)18-16-5-2-6-17(16)18)19(14-4-3-11-22-12-14)13-7-9-15(21)10-8-13/h3-4,7-12,16-19H,2,5-6H2,1H3/t16-,17-,19-/m1/s1.
What are the key properties of (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
(1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 340.85 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 100900534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).