4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide

C20H27F2N3O2 — CID 162574246

IUPAC4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCC1CN(C1CCC(F)(F)CC1)C2
InChIInChI=1S/C20H27F2N3O2/c1-27-20(13-6-9-24-17(10-13)18(23)26)14-2-3-15(20)12-25(11-14)16-4-7-19(21,22)8-5-16/h6,9-10,14-16H,2-5,7-8,11-12H2,1H3,(H2,23,26)
InChIKeyPHLJOELGNIKLET-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.94
Rot. Bonds4

About 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide

4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide (PubChem CID 162574246) has the molecular formula C20H27F2N3O2 and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide
PubChem CID162574246
Molecular FormulaC20H27F2N3O2
Molecular Weight379.45 g/mol
Exact Mass379.21
IUPAC Name4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCC1CN(C1CCC(F)(F)CC1)C2
InChIInChI=1S/C20H27F2N3O2/c1-27-20(13-6-9-24-17(10-13)18(23)26)14-2-3-15(20)12-25(11-14)16-4-7-19(21,22)8-5-16/h6,9-10,14-16H,2-5,7-8,11-12H2,1H3,(H2,23,26)
InChIKeyPHLJOELGNIKLET-UHFFFAOYSA-N
XLogP2.94
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[3-(4,4-difluorocyclohexyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139383253
4-[(1S,5R)-3-(3,3-difluorocyclobutyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139368018
4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 161190455
bis(4-[9-methoxy-3-(3-methoxycyclobutyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide);dihydrochloride
CID 162106098
4-[(1S,5R)-9-methoxy-3-(7-oxaspiro[3.5]nonan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139367967
4-[(1S,5R)-9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139367983
4-[9-methoxy-3-(7-oxaspiro[3.5]nonan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 158391380
4-[3-(4-fluorooxan-4-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 154622942
4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368043
4-[(1R,5S)-3-tert-butyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368244
4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide
CID 139383453
4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139367977

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide (CID 162574246) is 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide is COC1(c2ccnc(C(N)=O)c2)C2CCC1CN(C1CCC(F)(F)CC1)C2.
What is the InChIKey of 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide?
The InChIKey is PHLJOELGNIKLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O2/c1-27-20(13-6-9-24-17(10-13)18(23)26)14-2-3-15(20)12-25(11-14)16-4-7-19(21,22)8-5-16/h6,9-10,14-16H,2-5,7-8,11-12H2,1H3,(H2,23,26).
What are the key properties of 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide?
4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide has a molecular weight of 379.45 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,4-difluorocyclohexyl)-8-methoxy-3-azabicyclo[3.2.1]octan-8-yl]pyridine-2-carboxamide is sourced from PubChem (CID 162574246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).