(1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide

C20H20F2N2O — CID 100900528

IUPAC(1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N2O/c1-24(20(25)18-14-5-2-6-15(14)18)19(12-4-3-9-23-11-12)16-8-7-13(21)10-17(16)22/h3-4,7-11,14-15,18-19H,2,5-6H2,1H3/t14-,15-,19-/m1/s1
InChIKeyVENNAXZFUQBOGL-SPYBWZPUSA-N
MW342.39 g/mol
LogP3.95
Rot. Bonds4

About (1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide

(1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 100900528) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is (1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID100900528
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C20H20F2N2O/c1-24(20(25)18-14-5-2-6-15(14)18)19(12-4-3-9-23-11-12)16-8-7-13(21)10-17(16)22/h3-4,7-11,14-15,18-19H,2,5-6H2,1H3/t14-,15-,19-/m1/s1
InChIKeyVENNAXZFUQBOGL-SPYBWZPUSA-N
XLogP3.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-N-[(R)-(2,4-difluorophenyl)-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)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 100900534
N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine
CID 97216355
N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide
CID 124559510
3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
CID 119065675
3-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-1-methyl-1-(1-pyridin-3-ylethyl)urea
CID 71972562
trans-(1R,2R)-N-[(S)-(3,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 124850594
1-[(5-fluoro-2-methoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 3942168
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
(5-fluoro-2-methylphenyl)-pyridin-3-ylmethanol
CID 62388574
(2-chloro-4-fluorophenyl)-pyridin-3-ylmethanol
CID 62945841
(2S)-N-[(2S)-2-amino-2-(2,4-difluorophenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 99815454
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 100900528) is (1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CN(C(=O)C1[C@@H]2CCC[C@@H]12)[C@H](c1cccnc1)c1ccc(F)cc1F.
What is the InChIKey of (1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is VENNAXZFUQBOGL-SPYBWZPUSA-N. The full InChI is InChI=1S/C20H20F2N2O/c1-24(20(25)18-14-5-2-6-15(14)18)19(12-4-3-9-23-11-12)16-8-7-13(21)10-17(16)22/h3-4,7-11,14-15,18-19H,2,5-6H2,1H3/t14-,15-,19-/m1/s1.
What are the key properties of (1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
(1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 3.95, 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)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 100900528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).